COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STL001456
Synonyms: methyl(2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl](2-phenylhydrazinylidene)ethanoate
Smiles: COC(=O)/C(=N\Nc1ccccc1)/Sc1nnc(n1c1ccccc1)c1ccccc1
STL001457
Synonyms: 4-(2-chlorobenzyl)-N-[(E)-(3-chlorophenyl)methylidene]piperazin-1-amine
Smiles: Clc1cccc(c1)/C=N/N1CCN(CC1)Cc1ccccc1Cl
STL001458
Synonyms: N'-[(E)-(4-nitrophenyl)methylidene]-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
Smiles: O=C(CCn1c2ccccc2c2c1CCCC2)N/N=C/c1ccc(cc1)[N+](=O)[O-]
STL001460
Synonyms: 5-(4-tert-butylphenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Oc1cc2CCCCc2cc1n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C
STL001461
Synonyms: 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(cc1)OC
STL001462
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2F)/C1=O
STL001463
Synonyms: 1-(3-chlorophenyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1cccc(c1)Cl)O)C(=O)c1ccccc1
STL001465
Synonyms: N'-{(E)-[1-(2-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1Cl
STL001466
Synonyms: 5-[4-(dimethylamino)phenyl]-1-hexyl-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCN1C(c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccccc1
STL001467
Synonyms: 4-tert-butyl-N-(2,3-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(c1cccc(c1C)C)C(=O)c1ccc(cc1)C(C)(C)C)O
STL001468
Synonyms: 5-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)carbonyl]-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1OC)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)Br)Cc1cccnc1
STL001469
Synonyms: 4-acetyl-5-(4-chlorophenyl)-1-hexadecyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)C)O
STL001470
Synonyms: 1-hexadecyl-3-hydroxy-5-phenyl-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccccc1)O
STL001471
Synonyms: 4-[(E)-2-cyano-2-{5-[(phenylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}ethenyl]-2-methoxyphenyl2-nitrobenzenesulfonate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1[N+](=O)[O-])/c1nnc(s1)NC(=O)c1ccccc1
STL001472
Synonyms: 4-chloro-N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccc(c(c1)C)C)Cc1cc2ccc(cc2nc1O)C
STL001474
Synonyms: 3-(1H-benzotriazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]propanehydrazide
Smiles: O=C(CCn1nnc2c1cccc2)N/N=C/c1ccccn1
STL001475
Synonyms: 2-bromo-N-(2,3-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(c1cccc(c1C)C)C(=O)c1ccccc1Br
STL001476
Synonyms: ethyl3-{[(3-chlorophenyl)carbonyl]oxy}-1-benzothiophene-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1OC(=O)c1cccc(c1)Cl)cccc2
STL001477
Synonyms: N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(\c1cccc(c1)O)/C
STL001478
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STL001479
Synonyms: N-(4-fluorophenyl)-5,7-dinitroquinolin-8-amine
Smiles: Fc1ccc(cc1)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]
STL001480
Synonyms: 1-decyl-4-hydroxy-2-oxo-N-(pyridin-4-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCCCCn1c2ccccc2c(c(c1=O)C(=O)Nc1ccncc1)O
STL001481
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[(4-fluorophenyl)amino]propan-2-ol}
Smiles: OC(COc1ccc(cc1)OCC(CNc1ccc(cc1)F)O)CNc1ccc(cc1)F
STL001482
Synonyms: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-[4-(propan-2-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CN(CCCN1C(c2ccc(cc2)OC(C)C)C(=C(C1=O)O)C(=O)c1ccc(o1)C)C
STL001483
Synonyms: (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-1-methyl-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN(CCN/C=C/1\C(=O)N(C)C(=S)N(C1=O)c1ccccc1)CC
STL001484
Synonyms: 2-(4-methoxy-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1[N+](=O)[O-])C1NC(=O)c2c(N1)sc1c2CCN(C1)C
STL001485
Synonyms: 6-chloro-3-{5-[4-(dimethylamino)phenyl]-1-(thiophen-2-ylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C1=NN(C(C1)c1ccc(cc1)N(C)C)C(=O)c1cccs1
STL001486
Synonyms: 4-tert-butyl-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2cc(C)ccc2nc1O)C
STL001487
Synonyms: 2-[(E)-{[3-(4-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: Clc1ccc(cc1)c1nnc(n1/N=C/c1ccccc1C(=O)O)S
STL001488
Synonyms: 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1/C=N/Nc1nc2c(n1CCOc1ccccc1)c(=O)[nH]c(=O)n2C
STL001489
Synonyms: 7-(diethylamino)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)F)CC
STL001490
Synonyms: 4-acetyl-1-hexadecyl-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C)O
STL001491
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1)C
STL001492
Synonyms: 3-(4-chlorophenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)Cl)c1ccccc1
STL001493
Synonyms: N-[(E)-(4-bromophenyl)methylidene]-4-phenylpiperazin-1-amine
Smiles: Brc1ccc(cc1)/C=N/N1CCN(CC1)c1ccccc1
STL001494
Synonyms: 2-(2H-benzotriazol-2-yl)-4-methylphenyl3-iodobenzoate
Smiles: Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cccc(c1)I
STL001495
Synonyms: 1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCN1C(=O)C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccc(cc1)[N+](=O)[O-])O)CC
STL001496
Synonyms: 2-phenyl-N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]quinoline-4-carbohydrazide
Smiles: C/C(=N/NC(=O)c1cc(nc2c1cccc2)c1ccccc1)/C=C/c1ccccc1
STL001497
Synonyms: (5Z)-5-(4-chlorobenzylidene)-2-[(3-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)O
STL001498
Synonyms: 5-(4-chlorophenyl)-4-[(4-chlorophenyl)carbonyl]-1-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccc(cc1)Cl
STL001499
Synonyms: 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(phenylcarbonyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCOc1cccc(c1)C1N(CCN(C)C)C(=O)C(=C1C(=O)c1ccccc1)O
STL001500
Synonyms: 8-phenyl-9-(propylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCc1c3cccc1
STL001501
Synonyms: methyl4-({(2Z)-6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1C)C(=O)Nc1ccccc1Cl
STL001502
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-difluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1F)F)C
STL001503
Synonyms: methyl4-({1-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: CCN(CCN1C(=O)C(=C(C1c1ccc(cc1)F)C(=O)c1c(C)[nH]c(c1C)C(=O)OC)O)CC
STL001504
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1cccc(c1)C(F)(F)F
STL001505
Synonyms: 2-bromo-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(C(=O)c1ccccc1Br)c1ccccc1)O
STL001506
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O
STL001507
Synonyms: 3-amino-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCCCSc1nc2c(s1)cc(cc2)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC
STL001508
Synonyms: N-benzyl-N,N-dimethyl-3-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amino]propan-1-aminium
Smiles: O=C(NC1CC2C(C1(C)CC2)(C)C)CC[N+](Cc1ccccc1)(C)C
STL001509
Synonyms: (2Z)-3-(morpholin-4-yl)-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=C(/c1ccccc1)\N1CCOCC1
STL001510
Synonyms: ethyl3-bromo-4-[(4-bromophenyl)amino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)C1(C)N(c2ccccc2)C(=O)C(=C1Br)Nc1ccc(cc1)Br
STL001511
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
STL001512
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-({1-[2-(2,5-dichlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2cc(Cl)ccc2Cl)/C1=O)C
STL001513
Synonyms: 1-(5-bromopyridin-2-yl)-4-[(4-ethoxyphenyl)carbonyl]-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cn1)Br
STL001514
Synonyms: 5-cyclohexyl-4-{[(E)-naphthalen-1-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc2c1cccc2)C1CCCCC1
STL001515
Synonyms: 4-acetyl-1-(2-bromoethyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: BrCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O
STL001516
Synonyms: {3-hydroxy-4-[(4-nitrophenyl)carbonyl]-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl}aceticacid
Smiles: OC(=O)CN1C(c2ccccc2)C(=C(C1=O)O)C(=O)c1ccc(cc1)[N+](=O)[O-]
STL001517
Synonyms: ethyl2-{3-hydroxy-5-(4-methylphenyl)-2-oxo-4-[(4-propoxyphenyl)carbonyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C)c1sc(c(n1)C)C(=O)OCC
STL001518
Synonyms: 2,2'-(benzene-1,4-diylbis{methanediyl(2,4-dioxo-1,3-thiazolidine-3,5-diyl)[(4-methylphenyl)imino]})diacetamide(non-preferredname)
Smiles: NC(=O)CN(C1SC(=O)N(C1=O)Cc1ccc(cc1)CN1C(=O)SC(C1=O)N(c1ccc(cc1)C)CC(=O)N)c1ccc(cc1)C
STL001519
Synonyms: 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3
STL001520
Synonyms: 3-amino-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCCCSc1nc2c(s1)cc(cc2)NC(=O)c1sc2c(c1N)ccc(n2)c1ccncc1
STL001521
Synonyms: 3-(2-chlorobenzyl)-9-(4-ethylphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl
STL001522
Synonyms: N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)Cl)cc3c1ccc(cc1)F
STL001523
Synonyms: 4-tert-butyl-N-(3,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]benzamide
Smiles: O=C(N(c1ccc(c(c1)C)C)Cc1cc2cccc(c2nc1O)C)c1ccc(cc1)C(C)(C)C
STL001524
Synonyms: N-benzyl-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(propan-2-yl)heptanamide
Smiles: CC(N(C(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)C
STL001525
Synonyms: methyl2-{[(E)-(2-hydroxy-4-methylphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Smiles: COC(=O)c1c(/N=C/c2ccc(cc2O)C)sc2c1CCN(C2)C
STL001526
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]-3-nitrobenzamide
Smiles: Oc1nc2ccccc2cc1CN(c1cccc(c1C)C)C(=O)c1cccc(c1)[N+](=O)[O-]
STL001527
Synonyms: 3,3'-(hydroxyimino)bis[1-(2,6-dichlorophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1c(Cl)cccc1Cl)C1CC(=O)N(C1=O)c1c(Cl)cccc1Cl
STL001528
Synonyms: 2-chloro-N-(2,3-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(c1cccc(c1C)C)C(=O)c1ccccc1Cl
STL001529
Synonyms: ethyl2-{3-[(4-chlorophenyl)carbonyl]-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)Cl)O
STL001530
Synonyms: 4-[(4-bromophenyl)carbonyl]-3-hydroxy-5-(4-methylphenyl)-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)C)C(=O)c1ccc(cc1)Br)O
STL001531
Synonyms: 9-(3,5-dimethylphenyl)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2cc(C)cc(c2)C)c2n(C1)c1c(=O)n(Cc3cccc4c3cccc4)c(=O)n(c1n2)C
STL001532
Synonyms: 1-(4-bromophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2)c1ccc(cc1)Br
STL001533
Synonyms: 10-acetyl-11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)OC)C(=O)C
STL001534
Synonyms: 5-(4-chlorophenyl)-1-hexadecyl-3-hydroxy-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)/C=C/c1ccccc1
STL001536
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Clc1ccc(c(c1)Cl)c1nnc(n1/N=C/c1cc(Br)ccc1F)S
STL001537
Synonyms: 3-amino-N-(2-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccccc1Br
STL001538
Synonyms: methyl4-[3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(=O)OC)C(=O)CC(C)C
STL001539
Synonyms: 4-hydroxy-1-nonyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCCCn1c2ccccc2c(c(c1=O)C(=O)Nc1ccccn1)O
STL001540
Synonyms: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(c(c1)C1N(c2nc3c(s2)cccc3)C(=O)C(=C1C(=O)c1ccc(cc1)C)O)OC
STL001542
Synonyms: 6-{2-(4-chlorophenyl)-3-[(4-chlorophenyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoicacid
Smiles: OC(=O)CCCCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl
STL001543
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1Z)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(ccc1O)/C(=N\NC(=O)CSc1nc2c(o1)cccc2)/C
STL001544
Synonyms: 5-(4-ethylphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1ccco1)O
STL001545
Synonyms: N'-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-hydroxybenzohydrazide
Smiles: CCN1C(=O)C(=CNNC(=O)c2ccccc2O)C(=O)N(C1=S)CC
STL001546
Synonyms: 2-[(4-bromophenyl)amino]-3-(piperidin-1-yl)naphthalene-1,4-dione
Smiles: Brc1ccc(cc1)NC1=C(N2CCCCC2)C(=O)c2c(C1=O)cccc2
STL001547
Synonyms: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-4-nitrobenzamide
Smiles: O=C(N(c1ccc(c(c1)C)C)Cc1cc2cccc(c2nc1O)C)c1ccc(cc1)[N+](=O)[O-]
STL001548
Synonyms: 1-[3-(diethylamino)propyl]-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)OC)CC
STL001549
Synonyms: 4-[(4-bromophenyl)carbonyl]-5-(3-fluorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1cccc(c1)C1N(CCCn2cncc2)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O
STL001550
Synonyms: 2-bromo-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-(2-methylphenyl)benzamide
Smiles: Oc1nc2c(cc1CN(c1ccccc1C)C(=O)c1ccccc1Br)cccc2C
STL001551
Synonyms: 2,2'-(benzene-1,4-diylbis{methanediyl(2,4-dioxo-1,3-thiazolidine-3,5-diyl)[(3-methylphenyl)imino]})diacetamide(non-preferredname)
Smiles: NC(=O)CN(C1SC(=O)N(C1=O)Cc1ccc(cc1)CN1C(=O)SC(C1=O)N(c1cccc(c1)C)CC(=O)N)c1cccc(c1)C
STL001552
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-2-methylpropanamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(c1cccc(c1C)C)C(=O)C(C)C
STL001553
Synonyms: 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)Nc1ccc(c(c1)C(F)(F)F)Cl
STL001554
Synonyms: 9-(2-methoxyphenyl)-2-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1N2CCC1)c1ccccc1OC
STL001555
Synonyms: 3-hydroxy-1-(3-methylphenyl)-5-(3-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1cccc(c1)N1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccccc1)O
STL001556
Synonyms: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}propanehydrazide
Smiles: O=C(CCC1C(=NNC1=O)C)N/N=C/c1ccc(cc1)C(C)C
STL001557
Synonyms: (2E)-2-cyano-3-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CC(C)OC(C1)C)/C(=O)N
STL001558
Synonyms: 7-(4-bromophenyl)-2-chloro-6-(4-methoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccc(cc1)Br)n1c(N2)ncn1)Cl
STL001559
Synonyms: 6-bromo-3-{1-[(4-methoxyphenyl)carbonyl]-5-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)N1N=C(CC1/C=C/c1ccccc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br
STL001560
Synonyms: ethyl5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1OC
STL001561
Synonyms: 5-(4-chloro-3-fluorophenyl)-3-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)F)Cl)C(=O)C2C1C(N(O2)c1ccccc1)c1cccc2c1cccc2
STL001562
Synonyms: (3E)-6-chloro-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=c\1/[nH]c2cc(Cl)ccc2oc1=O
STL001563
Synonyms: 5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)NC(=O)C1=CNCCCN1CCOCC1
STL001564
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CSc1nc(C)nc3c1oc1c3cccc1)c(n2Cc1ccccc1)C
STL001565
Synonyms: 5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[1-(4-ethoxyphenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methyl)-3-(4-ethoxyphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydro
Smiles: CCOc1ccc(cc1)n1c(=S)[nH]c(=O)c(c1[O-])C(c1c(=O)[nH]c(=S)n(c1O)c1ccc(cc1)OCC)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)OC
STL001566
Synonyms: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)-4-nitrobenzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cc2cccc(c2nc1O)C
STL001567
Synonyms: 6-methyl-4-[4-(pentyloxy)phenyl]-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Smiles: CCCCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)Nc1ccccc1)C
STL001568
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)CSc1ccccn1
STL001569
Synonyms: N-benzyl-N,N-dimethyl-2-oxo-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanaminium
Smiles: O=C(C[N+](Cc1ccccc1)(C)C)OC1CC2C(C1(C)CC2)(C)C
STL001570
Synonyms: 3-(dec-9-en-1-yl)-5-(methylsulfanyl)-1H-1,2,4-triazole
Smiles: C=CCCCCCCCCc1n[nH]c(n1)SC
STL001571
Synonyms: 7-(diethylamino)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1cccc(c1)[N+](=O)[O-])CC
STL001572
Synonyms: 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)Br)C(=O)c1ccc(cc1)Cl)O
STL001573
Synonyms: N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: CCOc1cccc(c1O)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C
STL001574
Synonyms: 2-ethoxy-6-[(E)-{[4-(4-methylphenyl)piperazin-1-yl]imino}methyl]phenol
Smiles: CCOc1cccc(c1O)/C=N/N1CCN(CC1)c1ccc(cc1)C
STL001575
Synonyms: (5Z)-5-(3-bromobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Brc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1c(=O)n(n(c1C)C)c1ccccc1
STL001576
Synonyms: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cccc(c1)N1C(=O)C(=C(C1c1ccc(cc1)Br)C(=O)C)O
STL001577
Synonyms: 1-hexyl-3-hydroxy-5-(4-methoxyphenyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCN1C(c2ccc(cc2)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL001578
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CCOC)c(=O)[nH]c(=O)n2C
STL001579
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-[2-(propylsulfanyl)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCCSc1nc2c(s1)cc(cc2)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC
STL001580
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(1Z)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C(\c1ccc(cc1)O)/C
STL001581
Synonyms: 1,3-diphenyl-5-[(piperidin-1-ylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1/C(=C/NN2CCCCC2)/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
STL001582
Synonyms: 4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C(=O)C(N1C(=O)c2c(C1=O)cccc2)C
STL001583
Synonyms: 2-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccccc1Cl)Cc1cc2cccc(c2nc1O)C
STL001584
Synonyms: 3-amino-N-(2-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1Cl)F
STL001585
Synonyms: 5-(4-bromophenyl)-1-(furan-2-ylmethyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccco1
STL001586
Synonyms: 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCOc1ccc(cc1OC)C1N(CCCN(C)C)C(=O)C(=C1C(=O)c1ccc(cc1)C)O
STL001587
Synonyms: 4-[(4-bromophenyl)carbonyl]-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(c(c1)C1C(=C(C(=O)N1c1noc(c1)C(C)(C)C)O)C(=O)c1ccc(cc1)Br)OC
STL001588
Synonyms: methyl4-[(E)-{2-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanoyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)CCn1c2ccccc2c2c1CCCC2
STL001589
Synonyms: (5E)-1-(4-fluorophenyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\NCCCn2ccnc2)/C1=O
STL001590
Synonyms: 2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1-(3-phenoxypropyl)-1H-benzimidazole
Smiles: CC(Cc1ccc(cc1)C(c1nc2c(n1CCCOc1ccccc1)cccc2)C)C
STL001591
Synonyms: 3-{3-[(4-bromophenyl)carbonyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl}benzoicacid
Smiles: Brc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(=O)O
STL001592
Synonyms: 1-[3-(diethylamino)propyl]-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-[3-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCOc1cccc(c1)C1N(CCCN(CC)CC)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O
STL001593
Synonyms: 1-hexyl-3-hydroxy-5-(4-methylphenyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCN1C(c2ccc(cc2)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL001594
Synonyms: 4-[(4-bromophenyl)carbonyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1OC)C1N(CCCn2cncc2)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O
STL001595
Synonyms: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)N1CCN(CC1)c1ccc(c(c1)Cl)C
STL001596
Synonyms: 5-(4-chlorophenyl)-1-hexadecyl-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(cc1)OC
STL001597
Synonyms: 4-(4-fluorophenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(C(=O)Nc2ccccc2)n2c3c1CCCCn3c(c2)c1ccc(cc1)F
STL001598
Synonyms: 6-[9-bromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br
STL001599
Synonyms: 1-(3-chlorophenyl)-3-hydroxy-5-(4-methoxyphenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C1N(c2cccc(c2)Cl)C(=O)C(=C1C(=O)c1ccccc1)O
STL001600
Synonyms: 4-(4-chlorobenzyl)-N-[(E)-(3-nitrophenyl)methylidene]piperazin-1-amine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)/N=C/c1cccc(c1)[N+](=O)[O-]
STL001601
Synonyms: 3-methyl-7-(3-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C
STL001602
Synonyms: 4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2)c1ccccc1
STL001603
Synonyms: 3-(1H-benzotriazol-1-yl)-N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]propanehydrazide
Smiles: ClCCN(c1ccc(cc1)/C=N/NC(=O)CCn1nnc2c1cccc2)CCCl
STL001604
Synonyms: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1OC)C1NC(=O)C(=C1C(=O)c1ccc(cc1)C)O
STL001605
Synonyms: 5-(2-chlorophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1Cl)CCCN1CCOCC1
STL001606
Synonyms: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(propan-2-yloxy)phenyl]-1,2-oxazole-4-carboxamide
Smiles: CC(Oc1ccc(cc1)NC(=O)c1c(C)onc1c1c(F)cccc1Cl)C
STL001607
Synonyms: 4-[(4-carboxy-3-methylbutanoyl)amino]benzoicacid
Smiles: OC(=O)CC(CC(=O)Nc1ccc(cc1)C(=O)O)C
STL001608
Synonyms: 4-[(4-chlorophenyl)carbonyl]-5-(2,4-dichlorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(c(c1)Cl)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O
STL001609
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methyl-N-(3-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)C(=O)N(c1cccc(c1)C)Cc1cc2ccc(cc2nc1O)C
STL001610
Synonyms: 3-(2-chloro-6-fluorophenyl)-N-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Smiles: Clc1ccc(c(c1)F)NC(=O)c1c(C)onc1c1c(F)cccc1Cl
STL001611
Synonyms: N-(5-{2-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide
Smiles: COc1cc(/C=N/NC(=O)Cc2nnc(s2)NC(=O)c2ccccc2)ccc1O
STL001612
Synonyms: 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-1-hexadecyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl
STL001613
Synonyms: 5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-2-(phenylsulfonyl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1cn(nc1c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
STL001614
Synonyms: 5-(4-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1ccc(cc1)C1C(=C(C(=O)N1c1cccnc1)O)C(=O)c1ccccc1
STL001615
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(3-methylphenyl)benzamide
Smiles: COc1ccccc1C(=O)N(c1cccc(c1)C)Cc1cc2cc(C)ccc2nc1O
STL001616
Synonyms: N'-{(E)-[1-(4-iodophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)I
STL001618
Synonyms: 7-chloro-8-{(E)-[2-(6-chloro-4-phenylquinazolin-2-yl)hydrazinylidene]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinoline
Smiles: Clc1ccc2c(c1)c(nc(n2)N/N=C/c1cc2cc3OCCOc3cc2nc1Cl)c1ccccc1
STL001619
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)[N+](=O)[O-]
STL001620
Synonyms: 5-(4-bromophenyl)-4-[(4-bromophenyl)carbonyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(CCCn2cncc2)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O
STL001621
Synonyms: N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccccc1)Cc1cc2cc(C)ccc2nc1O)C
STL001622
Synonyms: 5-(3-bromophenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)Br)c1ccccc1
STL001623
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cc(Br)ccc1O
STL001624
Synonyms: (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-(2-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/NCCCn1ccnc1)c1ccccc1C
STL001626
Synonyms: 1,1'-methanediylbis{3-[2-hydroxy-3-(piperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione}
Smiles: OC(CN1CCCCC1)CN1C(=O)N(C(C1=O)(C)C)CN1C(=O)N(C(=O)C1(C)C)CC(CN1CCCCC1)O
STL001627
Synonyms: 4-[(4-ethoxyphenyl)carbonyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)C)c1sc2c(n1)ccc(c2)CC
STL001628
Synonyms: N-(2,3-dimethylphenyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: Cc1c(cccc1C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
STL001629
Synonyms: 2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-iodo-3-phenylquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)N(C)C)c1ccccc1
STL001630
Synonyms: 4-chloro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2nc1O
STL001631
Synonyms: 6-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(2,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
Smiles: Clc1ccc(c(c1)Cl)Nc1nc(nc(n1)Nc1ccc(cc1Cl)Cl)Sc1nc2c(s1)cccc2
STL001632
Synonyms: 2-[(2E)-2-({1-[2-(4-bromophenoxy)ethyl]-1H-indol-3-yl}methylidene)hydrazinyl]-1,3-benzothiazole
Smiles: Brc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=N/Nc1nc2c(s1)cccc2
STL001633
Synonyms: 2-chloro-N-cyclohexyl-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(C(=O)c1ccccc1Cl)C1CCCCC1)O
STL001634
Synonyms: N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)serine
Smiles: OCC(C(=O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL001635
Synonyms: N-(2,5-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)N(c1cc(C)ccc1C)Cc1cc2cccc(c2nc1O)C
STL001636
Synonyms: 5-(2,4-dimethoxyphenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(OC)ccc1C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1cccs1)O
STL001637
Synonyms: 5-(4-tert-butylphenyl)-4-{[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Cl/C(=C/c1ccccc1)/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C
STL001638
Synonyms: 3-hydroxy-5-(3-methoxyphenyl)-4-[(4-methoxyphenyl)carbonyl]-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cccc(c1)C1N(CCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O
STL001639
Synonyms: (9E)-9-benzylidene-3-(4-methylphenyl)-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Cc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccccc1)CCC/C/3=C\c1ccccc1
STL001640
Synonyms: 3-(3,4-dichlorophenyl)-2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1cc(c(s1)Cl)C(=O)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C
STL001642
Synonyms: ethyl5-(4-nitrophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])N=O
STL001643
Synonyms: 3-hydroxy-1-(3-methylphenyl)-5-(4-nitrophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1cccc(c1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)/C=C/c1ccccc1
STL001644
Synonyms: methyl4-[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)n1nnnc1SCC(=O)Nc1c(C)cccc1C
STL001645
Synonyms: (5Z)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(c(c1)Cl)C
STL001646
Synonyms: 1-(furan-2-ylmethyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1[N+](=O)[O-])Cc1ccco1
STL001647
Synonyms: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-3,4,5-trimethoxybenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(c1ccc(c(c1)C)C)Cc1cc2cc(C)ccc2nc1O
STL001648
Synonyms: methyl(2E)-[2-(3-chlorophenyl)hydrazinylidene]{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoate
Smiles: COC(=O)/C(=N\Nc1cccc(c1)Cl)/Sc1nnc(n1C)c1ccc(cc1)OC
STL001649
Synonyms: ethyl2-[(2-hydroxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NCc2ccccc2O)sc2c1CCC2
STL001650
Synonyms: 2-bromo-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccccc1Br)Cc1cc2ccccc2nc1O
STL001651
Synonyms: 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(cc1)[N+](=O)[O-]
STL001652
Synonyms: prop-2-en-1-yl5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)N(CC)CC
STL001653
Synonyms: 3-hydroxy-4-[(4-nitrophenyl)carbonyl]-5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
STL001654
Synonyms: 1-(4-acetylphenyl)-5-(4-chlorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C(=O)C)O)C(=O)c1ccccc1
STL001655
Synonyms: tert-butyl4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: COc1cccc(c1)C1NC(=O)NC(=C1C(=O)OC(C)(C)C)C
STL203301
Synonyms: 2-ethoxy-N-(2-methylquinolin-8-yl)benzamide
Smiles: CCOc1ccccc1C(=O)Nc1cccc2c1nc(C)cc2
STL203302
Synonyms: 2-methoxy-N-(2-methylquinolin-8-yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1cccc2c1nc(C)cc2
STL203303
Synonyms: 2-(2,3-dimethylphenoxy)-N-(2-methylquinolin-8-yl)acetamide
Smiles: O=C(Nc1cccc2c1nc(C)cc2)COc1cccc(c1C)C
STL203304
Synonyms: 2-(4-bromophenoxy)-N-(2-methylquinolin-8-yl)acetamide
Smiles: O=C(Nc1cccc2c1nc(C)cc2)COc1ccc(cc1)Br
STL203305
Synonyms: 2-(4-chloro-3-methylphenoxy)-N-[3-(thiophen-2-yl)-1,2,4-thiadiazol-5-yl]propanamide
Smiles: O=C(C(Oc1ccc(c(c1)C)Cl)C)Nc1snc(n1)c1cccs1
STL203306
Synonyms: 3,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-benzofuran-2-carboxamide
Smiles: Cc1ccc(cc1)c1noc(c1)NC(=O)c1oc2c(c1C)cc(cc2)C
STL203307
Synonyms: 3-butoxy-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
Smiles: CCCCOc1cccc(c1)C(=O)Nc1onc2c1CC(C)CC2
STL203308
Synonyms: (5-chloro-3,6-dimethyl-1-benzofuran-2-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone
Smiles: O=C(c1oc2c(c1C)cc(c(c2)C)Cl)N1CCN(CC1)CCc1ccncc1
STL203309
Synonyms: 2-butoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
Smiles: CCCCOc1ccccc1C(=O)Nc1snc(n1)C
STL203310
Synonyms: N-(2,5-dimethylphenyl)-5-[(furan-2-ylmethyl)(4-methoxybenzyl)amino]-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: COc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1cc(C)ccc1C)S(=O)(=O)C)Cc1ccco1
STL203311
Synonyms: 5-[(4-fluorobenzyl)(furan-2-ylmethyl)amino]-N-(2-fluorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: Fc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1ccccc1F)S(=O)(=O)C)Cc1ccco1
STL203312
Synonyms: N-(4-chlorophenyl)-2-(ethylsulfonyl)-5-[(2-fluorobenzyl)(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide
Smiles: CCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1ccc(cc1)Cl)N(Cc1ccccc1F)Cc1ccco1
STL203313
Synonyms: N-(3-chlorophenyl)-5-[(furan-2-ylmethyl)(4-methylbenzyl)amino]-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: Cc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1cccc(c1)Cl)S(=O)(=O)C)Cc1ccco1
STL203314
Synonyms: N-(2,5-dimethylphenyl)-2-(ethylsulfonyl)-5-{(furan-2-ylmethyl)[(3-methylthiophen-2-yl)methyl]amino}pyrimidine-4-carboxamide
Smiles: CCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1cc(C)ccc1C)N(Cc1sccc1C)Cc1ccco1
STL203315
Synonyms: N-(2,4-dimethylphenyl)-2-(ethylsulfonyl)-5-{(furan-2-ylmethyl)[(3-methylthiophen-2-yl)methyl]amino}pyrimidine-4-carboxamide
Smiles: CCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1ccc(cc1C)C)N(Cc1sccc1C)Cc1ccco1
STL203316
Synonyms: N-(3-chlorophenyl)-5-[(4-ethylbenzyl)(furan-2-ylmethyl)amino]-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: CCc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1cccc(c1)Cl)S(=O)(=O)C)Cc1ccco1
STL203318
Synonyms: 5-[(furan-2-ylmethyl)(4-methoxybenzyl)amino]-N-(2-methylphenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: COc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1ccccc1C)S(=O)(=O)C)Cc1ccco1
STL203319
Synonyms: N-(2-chlorophenyl)-5-[(furan-2-ylmethyl)(4-methylbenzyl)amino]-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: Cc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1ccccc1Cl)S(=O)(=O)C)Cc1ccco1
STL203320
Synonyms: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
Smiles: Brc1ccc(cc1)c1nonc1NC(=O)c1ccccc1Cl
STL203321
Synonyms: 2-(3-methoxypropyl)-7-methyl-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(CCCOC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C
STL203322
Synonyms: 1-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)ccc(c1)C
STL203323
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)ccc(c1)C
STL203324
Synonyms: 5-bromo-N-(3,4-dimethylphenyl)-2-{2-[(4-methoxyphenyl)carbonyl]hydrazinyl}pyrimidine-4-carboxamide
Smiles: COc1ccc(cc1)C(=O)NNc1ncc(c(n1)C(=O)Nc1ccc(c(c1)C)C)Br
STL203325
Synonyms: 2-chloro-N-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide
Smiles: CCS(=O)(=O)c1nnc(s1)NC(=O)c1ccccc1Cl
STL203326
Synonyms: 5-bromo-2-(methylsulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Smiles: O=C(c1nc(ncc1Br)S(=O)(=O)C)Nc1cccc(c1)C(F)(F)F
STL203327
Synonyms: 5-bromo-N-(3-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1nc(ncc1Br)S(=O)(=O)C
STL203328
Synonyms: 5-[(4-tert-butylbenzyl)(furan-2-ylmethyl)amino]-N-(2-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: O=C(c1nc(ncc1N(Cc1ccco1)Cc1ccc(cc1)C(C)(C)C)S(=O)(=O)C)Nc1ccccc1Cl
STL203329
Synonyms: 5-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)carbonyl]-3-hydroxy-1-(2-hydroxyethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(c(c1)OC)OC
STL203330
Synonyms: N-(3-chlorophenyl)-4-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}benzamide
Smiles: O=C(Nc1cccc(c1)Cl)COc1ccc(cc1)C(=O)Nc1cccc(c1)Cl
STL203331
Synonyms: (4E)-N-(2-ethoxyphenyl)-4-[(2-ethoxyphenyl)imino]-1-(4-ethylphenyl)-1,4-dihydropyridazine-3-carboxamide
Smiles: CCOc1ccccc1NC(=O)c1nn(cc/c/1=N\c1ccccc1OCC)c1ccc(cc1)CC
STL203332
Synonyms: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-4-({4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}imino)-1-(4-ethylphenyl)-1,4-dihydropyridazine-3-carboxamide
Smiles: CCc1ccc(cc1)n1cc/c(=N/c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C2)C)/c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(C)OC(C1)C
STL203333
Synonyms: 2-(4-chloro-3-methylphenoxy)-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)O)COc1ccc(c(c1)C)Cl
STL203334
Synonyms: 2-(3-bromophenoxy)-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)O)COc1cccc(c1)Br
STL203335
Synonyms: 1-(4-ethylphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4-{[4-(piperidin-1-ylsulfonyl)phenyl]imino}-1,4-dihydropyridazine-3-carboxamide
Smiles: CCc1ccc(cc1)n1cc/c(=N/c2ccc(cc2)S(=O)(=O)N2CCCCC2)/c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
STL203336
Synonyms: 1-(4-ethylphenyl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-4-({4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}imino)-1,4-dihydropyridazine-3-carboxamide
Smiles: CCc1ccc(cc1)n1cc/c(=N/c2ccc(cc2)S(=O)(=O)N2CCCCC2C)/c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1C
STL203337
Synonyms: 2-(4-methoxyphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)c1oc(c(n1)C#N)N1CCN(CC1)CCc1ccncc1
STL203338
Synonyms: 1-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: COc1ccc2c(c1)sc(n2)NC(=O)c1nn(ccc1=O)c1ccc(cc1)F
STL203339
Synonyms: 4-methyl-N-[3-methyl-4-(propan-2-yl)phenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)C)C(C)C
STL203340
Synonyms: 2-(ethylsulfonyl)-5-[(furan-2-ylmethyl)(2-propoxybenzyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
Smiles: CCCOc1ccccc1CN(c1cnc(nc1C(=O)Nc1ccccc1C)S(=O)(=O)CC)Cc1ccco1
STL203341
Synonyms: 5-[(4-ethylbenzyl)(furan-2-ylmethyl)amino]-2-(methylsulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Smiles: CCc1ccc(cc1)CN(c1cnc(nc1C(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)C)Cc1ccco1
STL203342
Synonyms: 5-[(furan-2-ylmethyl)(2-propoxybenzyl)amino]-N-(4-methylphenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Smiles: CCCOc1ccccc1CN(c1cnc(nc1C(=O)Nc1ccc(cc1)C)S(=O)(=O)C)Cc1ccco1
STL203343
Synonyms: 2-butoxy-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: CCCCOc1ccccc1C(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203345
Synonyms: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: O=C(Nc1nonc1c1ccc(c(c1)C)C)COc1cc(C)c(c(c1)C)Cl
STL203347
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)acetamide
Smiles: COc1ccccc1OCC(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203348
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203349
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-ethoxybenzamide
Smiles: CCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203350
Synonyms: 2-bromo-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: O=C(c1ccccc1Br)Nc1nonc1c1ccc(c(c1)C)C
STL203352
Synonyms: 3-butoxy-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: CCCCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203353
Synonyms: 2-(3,4-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: O=C(Nc1nonc1c1ccc(c(c1)C)C)COc1ccc(c(c1)C)C
STL203354
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
Smiles: Cc1cc(ccc1C)c1nonc1NC(=O)c1ccccc1C
STL203355
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)Nc1nonc1c1ccc(c(c1)C)C
STL203356
Synonyms: N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(c(c1)C)C)CC
STL203357
Synonyms: 3-butoxy-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: CCCCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(cc1)OC
STL203358
Synonyms: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
Smiles: O=C(N1CCC(CC1)c1nc2c(o1)cccc2)COc1ccccc1
STL203359
Synonyms: (2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CCC(CC2)c2nc3c(o2)cccc3)ccc1OC
STL203361
Synonyms: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl](4-butylcyclohexyl)methanone
Smiles: CCCCC1CCC(CC1)C(=O)N1CCC(CC1)c1nc2c(o1)cccc2
STL203362
Synonyms: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl](4-ethoxyphenyl)methanone
Smiles: CCOc1ccc(cc1)C(=O)N1CCC(CC1)c1nc2c(o1)cccc2
STL203363
Synonyms: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl](4-butoxyphenyl)methanone
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCC(CC1)c1nc2c(o1)cccc2
STL001656
Synonyms: 5-(4-tert-butylphenyl)-6-[4-(dimethylamino)phenyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CN(c1ccc(cc1)n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C)C
STL001657
Synonyms: benzyl[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Smiles: CCCCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STL001658
Synonyms: N'-{(E)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O
STL001659
Synonyms: (2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(c(c1)/C=C/C(=O)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br)OC
STL001660
Synonyms: 2-(4-methoxyphenyl)-5,6-diphenyl-1-(2-phenylethyl)-1H-imidazo[1,2-a]imidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCc1ccccc1)nc(c2c1ccccc1)c1ccccc1
STL001661
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-[4-(4-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc(c1)Br
STL001662
Synonyms: (5Z)-5-[(morpholin-4-ylamino)methylidene]-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCOCC2)/C1=O)C
STL001663
Synonyms: N'-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-hydroxybenzohydrazide
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/NNC(=O)c1ccccc1O)c1ccccc1F
STL001665
Synonyms: N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccccc1
STL001666
Synonyms: (5Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(3-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=O)N1c1c(=O)n(n(c1C)C)c1ccccc1
STL001667
Synonyms: 1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)C(=C1C(=O)c1ccc(cc1)C)O
STL001668
Synonyms: N-(4-ethoxyphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-2-methylbenzamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1ccccc1C)Cc1cc2ccc(cc2nc1O)C
STL001669
Synonyms: N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
Smiles: O=C(CCn1c2CCCCc2c2c1cccc2)N/N=C/C=C/c1ccccc1
STL001670
Synonyms: 5-(4-bromophenyl)-3-hydroxy-1-(3-methylphenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1cccc(c1)C)O)C(=O)c1ccccc1
STL001671
Synonyms: 3-(2-chlorophenyl)-5-{[3-(2-chlorophenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-o
Smiles: COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccccc1Cl)c1c(=O)[nH]c(=S)n(c1[O-])c1ccccc1Cl
STL001672
Synonyms: 5-(2-bromophenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1Br)c1ccccc1
STL001673
Synonyms: 5-[4-(dimethylamino)phenyl]-1-hexadecyl-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1ccc(cc1)N(C)C)C(=O)c1ccccc1)O
STL001674
Synonyms: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-3-methylbenzamide
Smiles: Cc1cccc(c1)C(=O)N(c1ccc(c(c1)C)C)Cc1cc2cc(C)ccc2nc1O
STL001675
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-3-nitro-N-phenylbenzamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(C(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
STL001676
Synonyms: N-(2-hydroxyphenyl)-4-[(5E)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanamide
Smiles: COc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)CCCC(=O)Nc1ccccc1O
STL001677
Synonyms: N-(2-chlorobenzyl)-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NCc1ccccc1Cl
STL001678
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1CC(=C)C)N/N=C/c1cccc(c1)Br
STL001679
Synonyms: 8-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1ccc(cc1)/C=N/Nc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C
STL001680
Synonyms: 2-bromo-N'-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]benzohydrazide
Smiles: COc1ccc(cc1)n1c(NNC(=O)c2ccccc2Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STL001681
Synonyms: ethyl7-(3-chloro-4-methylphenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(c(c1)Cl)C)N=O
STL001682
Synonyms: 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C)O)C(=O)c1ccc(cc1)Cl
STL001683
Synonyms: 3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-5-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(c(c1)C)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1cccnc1
STL001684
Synonyms: (5Z)-5-(4-chlorobenzylidene)-2-[(4-hydroxyphenyl)(methyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Oc1ccc(cc1)N(C1=NC(=O)/C(=C/c2ccc(cc2)Cl)/S1)C
STL001685
Synonyms: 2-chloro-N-(2,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1Cl)Cc1cc2ccc(cc2nc1O)C
STL001686
Synonyms: 5-(4-fluorophenyl)-3-hydroxy-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1cnn(c1C)c1ccccc1)O
STL001687
Synonyms: 3-(4-chlorophenyl)-5-(3-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])c1ccccc1
STL001688
Synonyms: 1-(4-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)F
STL001689
Synonyms: 1-(3-chlorophenyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1)C1N(c2cccc(c2)Cl)C(=O)C(=C1C(=O)c1ccccc1)O
STL001690
Synonyms: 2-methyl-N-(5-{2-[(2E)-2-{2-[2-(4-nitrophenoxy)ethoxy]benzylidene}hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide
Smiles: O=C(Cc1nnc(s1)NC(=O)c1ccccc1C)N/N=C/c1ccccc1OCCOc1ccc(cc1)[N+](=O)[O-]
STL001691
Synonyms: 4-[(4-bromophenyl)carbonyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCN1CCOCC1
STL001692
Synonyms: 3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)carbonyl]-5-[4-(propan-2-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(Oc1ccc(cc1)C1N(c2noc(c2)C)C(=O)C(=C1C(=O)c1ccc(cc1)C)O)C
STL001693
Synonyms: 4-(2-chlorobenzyl)-N-[(E)-(2,3-dichlorophenyl)methylidene]piperazin-1-amine
Smiles: Clc1ccccc1CN1CCN(CC1)/N=C/c1cccc(c1Cl)Cl
STL001694
Synonyms: ethyl3,3,3-trifluoro-N-[(2-fluorophenyl)carbonyl]-2-[(2-methylphenyl)amino]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccccc1C)NC(=O)c1ccccc1F
STL001695
Synonyms: ethyl1-(4-bromophenyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)Br
STL001696
Synonyms: 4-(4-methylphenyl)-N-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]piperazin-1-amine
Smiles: C/C(=C\c1ccccc1)/C=N/N1CCN(CC1)c1ccc(cc1)C
STL001697
Synonyms: N'-{(E)-[3-(4-bromobenzyl)-4-chloro-2-oxo-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-3-hydroxybenzohydrazide
Smiles: Brc1ccc(cc1)Cn1c(=O)sc(c1Cl)/C=N/NC(=O)c1cccc(c1)O
STL001698
Synonyms: 4-acetyl-3-hydroxy-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COCCN1C(=O)C(=C(C1c1cccc(c1)OC)C(=O)C)O
STL001699
Synonyms: ethyl4-{3-hydroxy-5-(4-methoxyphenyl)-4-[(4-nitrophenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)OC)C(=O)c1ccc(cc1)[N+](=O)[O-])O
STL001700
Synonyms: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-(5-methylfuran-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1C)C(=O)C1=C(O)C(=O)N(C1c1ccc(o1)C)c1sc2c(n1)c(C)cc(c2)C
STL001701
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)cc(c1OC)OC
STL001702
Synonyms: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STL001703
Synonyms: (5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\NC2CCN(CC2)Cc2ccccc2)/C1=O
STL001705
Synonyms: 3-[6-(2-chloro-5-methylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cc(C)ccc1Cl
STL001706
Synonyms: 1-[1-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
Smiles: CCOc1ccc(cc1)C(=O)C([n+]1cc(n2c1CCC2)c1ccc(cc1)F)C
STL001707
Synonyms: ethyl3'-(4-chlorophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Smiles: CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)Cl
STL001708
Synonyms: ethyl3-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Smiles: CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)c1ccccc1
STL001709
Synonyms: methyl2-{2-(3,4-dimethoxyphenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL001711
Synonyms: 4-oxo-N'-[(E)-thiophen-2-ylmethylidene]-3,4-dihydrophthalazine-1-carbohydrazide
Smiles: O=C(c1n[nH]c(=O)c2c1cccc2)N/N=C/c1cccs1
STL001712
Synonyms: N-(3,4-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)N(c1ccc(c(c1)C)C)Cc1cc2cc(C)ccc2nc1O
STL001713
Synonyms: 6-{(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Clc1ccc(c(c1)/C(=N\Nc1ccc2n(n1)cnn2)/C)Cl
STL001714
Synonyms: N-{(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}-4-(4-chlorobenzyl)piperazin-1-amine
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/N1CCN(CC1)Cc1ccc(cc1)Cl
STL001716
Synonyms: (2Z)-2-[(3-chlorophenyl)imino]-3-ethyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
Smiles: CCN1C(=O)CC(S/C/1=N\c1cccc(c1)Cl)C(=O)Nc1ccccc1
STL001717
Synonyms: N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccccc1)CC(CN(Cc1ccccc1)Cc1ccccc1)O
STL001718
Synonyms: 4-tert-butyl-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2cccc(c2nc1O)C)C
STL001719
Synonyms: (5Z)-5-(2-chlorobenzylidene)-3-(3-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2ccccc2Cl)/C1=O
STL001720
Synonyms: 3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-[2-(morpholin-4-yl)ethyl]-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1[N+](=O)[O-])CCN1CCOCC1
STL001721
Synonyms: 4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCCNC(=O)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl
STL001722
Synonyms: 2-(5-bromo-2-hydroxy-3-iodophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1cc(Br)cc(c1O)I
STL001724
Synonyms: 9-(4-benzylphenyl)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)Cc2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1cccc2c1cccc2
STL001725
Synonyms: ethyl4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(cc2)Cl)C(=S)N(C1=O)CC
STL001726
Synonyms: 11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(C)(C)C
STL001727
Synonyms: N-cyclohexyl-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N(C1CCCCC1)Cc1cc2cc(C)ccc2nc1O
STL001728
Synonyms: 3-benzyl-2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Brc1ccc(cc1)/C=N/Nc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3
STL001731
Synonyms: 4-chloro-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2nc1O)C
STL001732
Synonyms: methyl4-({2-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: COC(=O)c1[nH]c(c(c1C)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)Br)CCN(C)C)C
STL001733
Synonyms: 6-bromo-2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-4-phenylquinazoline
Smiles: Brc1ccc2c(c1)c(nc(n2)N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
STL001734
Synonyms: N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)benzamide(non-preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)/c2c1cccc2
STL001735
Synonyms: 2-chloro-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccccc1Cl)Cc1cc2cccc(c2nc1O)C
STL001736
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)/C=C/c1ccccc1)O
STL001737
Synonyms: 6-chloro-3-[5-(2-chlorophenyl)-1-(morpholin-4-ylacetyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C1=NN(C(C1)c1ccccc1Cl)C(=O)CN1CCOCC1
STL001738
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(F)cc(cc2Br)F)nc2c(c1=O)c1CCCCc1s2
STL001739
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(3-hydroxypropyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCCN1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl)O
STL001740
Synonyms: 5-(4-bromophenyl)-4-[(4-bromophenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)c1ccc(cc1)Br)CC
STL001741
Synonyms: 1-butyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(c2ccc(c(c2)OC)O)C(=C(C1=O)O)C(=O)c1ccc(cc1)[N+](=O)[O-]
STL001742
Synonyms: N-{4-[3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1
STL001743
Synonyms: N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/C
STL001744
Synonyms: 5-benzyl-6-(5-iodofuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Smiles: Ic1ccc(o1)C1N(Cc2ccccc2)c2ccccc2c2n1c1ccccc1n2
STL001745
Synonyms: N-{4-[2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)c1ccccc1
STL001746
Synonyms: 1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl
STL001747
Synonyms: 2-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenylbenzenesulfonate
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1)c1ccccc1
STL001748
Synonyms: 2-(diethylamino)ethyl4-({(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(cc1)Br)/C#N)CC
STL001749
Synonyms: 5-(2-chlorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=C(C(N1CCCN1CCOCC1)c1ccccc1Cl)C(=O)c1ccco1)O
STL001750
Synonyms: ethyl2-{[(3-bromophenyl)carbonyl]amino}-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(c(c1)OC)OC)NC(=O)c1cccc(c1)Br
STL001751
Synonyms: 2-bromo-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(2-methylphenyl)benzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(c1ccccc1C)C(=O)c1ccccc1Br)O
STL001752
Synonyms: 5-{[6-hydroxy-3-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-1-(4-methylphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrah
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)C)c1c([O-])[nH]c(=S)n(c1=O)c1ccc(cc1)C
STL001753
Synonyms: 2-chloro-7-(4-fluorophenyl)-6-(4-methoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccc(cc1)F)n1c(N2)ncn1)Cl
STL001754
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}prop-2-enenitrile
Smiles: COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N
STL001755
Synonyms: 7-(4-chlorobenzyl)-8-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Oc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STL001756
Synonyms: 5-(4-ethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1)C1N(CC2CCCO2)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O
STL001757
Synonyms: 1-{3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Smiles: COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)N)/C1=O
STL001758
Synonyms: 9-(2-methoxyphenyl)-2-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: COc1ccccc1C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(cc1)C
STL001760
Synonyms: N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-2-methylbenzamide(non-preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2C)/c2c1cccc2
STL001761
Synonyms: N-(2,5-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]-4-methylbenzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccc(cc1)C)Cc1cc2ccccc2nc1O)C
STL001762
Synonyms: (1S,2S,3aR)-1-acetyl-2-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(c(c2)OC)OC(C)C)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C
STL001763
Synonyms: 5-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CN(CCN1C(c2cccc(c2)Br)C(=C(C1=O)O)C(=O)c1cnn(c1C)c1ccccc1)C
STL001764
Synonyms: N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-phenylpiperazin-1-amine
Smiles: COc1cc(/C=N/N2CCN(CC2)c2ccccc2)ccc1OCc1ccccc1
STL001766
Synonyms: 1,5-bis(4-bromophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)Br)C(=O)C(=C1C(=O)c1ccccc1)O
STL001767
Synonyms: 5-[4-(dimethylamino)phenyl]-1-hexyl-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCN1C(c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL001768
Synonyms: 5-{[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-3-(4-methoxyphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-
Smiles: COc1ccc(cc1)n1c(=S)[nH]c(=O)c(c1[O-])C(c1c(=O)[nH]c(=S)n(c1O)c1ccc(cc1)OC)c1ccc(c(c1)C[NH+]1CCCCC1)OC
STL001769
Synonyms: 4-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccccc1)Cc1cc2ccc(cc2nc1O)C
STL001770
Synonyms: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-2-thioxo-1-[3-(trifluoromethyl)phenyl]dihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCN/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)C(F)(F)F)C
STL001771
Synonyms: benzyl5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
STL001772
Synonyms: 2-bromo-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccccc1Br)Cc1cc2ccc(cc2nc1O)C
STL001773
Synonyms: 4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
Smiles: COc1ccc(cc1)C1N(OC(=O)N1c1ccc(c(c1)Cl)Cl)c1ccccc1
STL001774
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(cc(c1OC)OC)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O
STL001775
Synonyms: 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(=O)C(=C(C1c1ccc(c(c1)OC)OC)C(=O)c1ccc(cc1)[N+](=O)[O-])O
STL001776
Synonyms: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)C
STL001777
Synonyms: 3-(3-nitrophenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one4-oxide
Smiles: [O-][N+](=O)c1cccc(c1)c1c(=O)n(OCc2ccc(cc2)Oc2ccccc2)c2c([n+]1[O-])cccc2
STL001778
Synonyms: 5-(4-chlorophenyl)-4-[(4-chlorophenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl)CC
STL001779
Synonyms: 2-bromo-N-(2,4-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1Br)Cc1cc2ccccc2nc1O
STL001780
Synonyms: (5Z)-1-(2-chlorophenyl)-5-[(morpholin-4-ylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C\NN1CCOCC1)c1ccccc1Cl
STL001781
Synonyms: 3,9-bis(4-propoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Smiles: CCCOc1ccc(cc1)C1OCC2(CO1)COC(OC2)c1ccc(cc1)OCCC
STL001782
Synonyms: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3,5-dimethoxybenzyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)NCc2cc(OC)cc(c2)OC)c(c(c1)c1cccs1)C#N
STL001784
Synonyms: 2-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenylbenzenesulfonate
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1
STL001785
Synonyms: 5-(4-fluorophenyl)-3-hydroxy-1-(4-iodophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1ccc(cc1)C1N(c2ccc(cc2)I)C(=O)C(=C1C(=O)/C=C/c1ccccc1)O
STL001787
Synonyms: 6'-(2,3-dihydro-1H-indol-1-yl)-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]
Smiles: CN1c2ccccc2C(C21C=Nc1c(O2)cc(c2c1cccc2)N1CCc2c1cccc2)(C)C
STL001788
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1CC(=C)C)c1ccc(cc1)Br)N/N=C/c1cc(Br)ccc1O
STL001789
Synonyms: 4-tert-butyl-N-(3,4-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(c(c1)C)C)O
STL001790
Synonyms: methyl2-[(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
Smiles: CCCCCCCCn1c(SC(C(=O)OC)C)nc2c1c(=O)[nH]c(=O)n2C
STL001791
Synonyms: N-(2,5-dimethylphenyl)-3,4,5-triethoxy-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N(c1cc(C)ccc1C)Cc1cc2cc(OC)ccc2nc1O
STL001792
Synonyms: 3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-(2-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1[N+](=O)[O-])c1cccc(c1)C(F)(F)F
STL001793
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[(4-ethoxyphenyl)amino]propan-2-ol}
Smiles: CCOc1ccc(cc1)NCC(COc1ccc(cc1)OCC(CNc1ccc(cc1)OCC)O)O
STL001794
Synonyms: 1,4-bis(4-chlorophenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1)c1ccc(cc1)Cl
STL001795
Synonyms: N-(4-ethoxyphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-4-methylbenzamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1ccc(cc1)C)Cc1cc2ccc(cc2nc1O)C
STL001796
Synonyms: N-(4-{3-hydroxy-5-(4-nitrophenyl)-4-[(4-nitrophenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)[N+](=O)[O-]
STL001797
Synonyms: 3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(NCC(C)C)nc3n(c2=O)cc(cc3)C)/C1=O
STL001798
Synonyms: N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C(/c1ccccc1O)\C
STL001799
Synonyms: 8-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C
STL001800
Synonyms: N-(3,4-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)N(c1ccc(c(c1)C)C)Cc1cc2ccccc2nc1O
STL001801
Synonyms: 1-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)carbonyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCN(CC)CC
STL001802
Synonyms: 3-(2-methylphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1C
STL001803
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)NC12CC3CC(C2)CC(C1)C3
STL001804
Synonyms: {3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}aceticacid
Smiles: OC(=O)CN1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL001805
Synonyms: 5-(4-bromophenyl)-3-hydroxy-1-methyl-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Br)C
STL001806
Synonyms: N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ncc(s2)Cc2cccc(c2)Cl)nc2c(c1=O)c1CCCCc1s2
STL001807
Synonyms: N-butyl-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-3-nitrobenzamide
Smiles: CCCCN(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2ccc(cc2nc1O)C
STL001808
Synonyms: 4-acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C1N(c2cccc(c2)C(F)(F)F)C(=O)C(=C1C(=O)C)O
STL001809
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-(2-methylphenyl)cyclohexanecarboxamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(c1ccccc1C)C(=O)C1CCCCC1
STL001810
Synonyms: 5-(4-ethylphenyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1
STL001811
Synonyms: N'-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
STL001812
Synonyms: N-(2-methoxydibenzo[b,d]furan-3-yl)-3-(4-methylphenoxy)propanamide
Smiles: COc1cc2c(cc1NC(=O)CCOc1ccc(cc1)C)oc1c2cccc1
STL001813
Synonyms: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C
STL001814
Synonyms: 1,5-bis(4-chlorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C1N(c2ccc(cc2)Cl)C(=O)C(=C1C(=O)c1ccccc1)O
STL001815
Synonyms: N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]pyridine-3-carboxamide
Smiles: CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)NC(=O)c1cccnc1
STL001816
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)N(c1cccc(c1C)C)Cc1cc2cccc(c2nc1O)C
STL001817
Synonyms: 5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CN(CCCN1C(c2ccc(cc2)C(C)(C)C)C(=C(C1=O)O)C(=O)c1cnn(c1C)c1ccccc1)C
STL001818
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(4-methylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl)O
STL001819
Synonyms: 1-[1,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
Smiles: Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)C)c1ccc(cc1)Cl
STL001820
Synonyms: 5-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)c1ccccc1
STL001821
Synonyms: 3-(1H-benzotriazol-1-yl)-N'-[(E)-pyridin-3-ylmethylidene]propanehydrazide
Smiles: O=C(CCn1nnc2c1cccc2)N/N=C/c1cccnc1
STL001822
Synonyms: 1-[2-(4-fluorophenyl)ethyl]-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
Smiles: O=C(NC(c1cccc(c1)C(=C)C)(C)C)NCCc1ccc(cc1)F
STL001824
Synonyms: 7-(4-ethoxyphenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCOc1ccc(cc1)c1cn2c(n1c1ccccc1OC)nc1c2c(=O)n(C)c(=O)n1C
STL001825
Synonyms: N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C
STL001826
Synonyms: 1-(4-ethoxyphenyl)-3-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1cc(C)ccc1C(C)C
STL001827
Synonyms: dimethyl1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Smiles: COc1ccc(cc1)N1N=C(SC21SC(=C(N2c1ccccc1)C)C(=O)OC)C(=O)OC
STL001829
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(3-methoxyphenyl)benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2cc(C)ccc2nc1O
STL001830
Synonyms: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Smiles: CCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)/C1=O
STL001831
Synonyms: N-cyclohexyl-N,2-dimethyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)N(C1CCCCC1)C)c1nnc2n1nc(C)c1c2cccc1
STL001832
Synonyms: N-[3-(dipropylamino)-2-hydroxypropyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide
Smiles: CCCN(CC(CN(S(=O)(=O)c1ccc2c(c1)cccc2)c1ccc(cc1)C)O)CCC
STL001833
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(2,3-dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C/c1cccc(c1Cl)Cl
STL001834
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(C)C
STL001835
Synonyms: (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-{[4-(3-methylphenyl)piperazin-1-yl]methyl}-2-thioxo-1,3-thiazolidin-4-one
Smiles: Cc1cccc(c1)N1CCN(CC1)CN1C(=S)S/C(=C/c2ccc(o2)C)/C1=O
STL001836
Synonyms: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1Cl
STL001837
Synonyms: N-benzyl-N-tert-butyl-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide
Smiles: O=C(N(C(C)(C)C)Cc1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2
STL001839
Synonyms: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Smiles: CCCCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)/C1=O
STL001841
Synonyms: 3,5-dibutyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylpentanoate
Smiles: CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)CCCC
STL001842
Synonyms: N'-[(E)-(4-ethylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1
STL001844
Synonyms: 6-(2,6-dimethylmorpholin-4-yl)-1,4-dimethyl-5-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCC(C)C)c(n(c1=O)C)N1CC(C)OC(C1)C
STL001845
Synonyms: 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: CCc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)c1ccccc1o2
STL001846
Synonyms: 4-methoxy-N-[2,2,2-trichloro-1-(4-phenylpiperazin-1-yl)ethyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1CCN(CC1)c1ccccc1
STL001847
Synonyms: 1-(3-methoxy-4-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1ccc(cc1OC)C1N(c2nccs2)C(=O)c2c1c(=O)c1c(o2)cccc1
STL001849
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-5-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)/C
STL001850
Synonyms: 1,7-dimethyl-9-phenyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)CCc1ccccc1
STL001851
Synonyms: N-(4-chlorophenyl)-2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetamide
Smiles: Clc1ccc(cc1)NC(=O)C(=O)N/N=C/c1cccnc1
STL001852
Synonyms: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c(=O)c2c(c3ccc(cc3)C(C)(C)C)n(cc2n(c1=O)C)C(C)C
STL001853
Synonyms: 1-(4-chlorophenyl)-5-{[3-(4-chlorophenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-ol
Smiles: COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)Cl)c1c([O-])[nH]c(=S)n(c1=O)c1ccc(cc1)Cl
STL001854
Synonyms: 3-(3,4-dichlorobenzyl)-9-(4-ethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(c(c1)Cl)Cl
STL001855
Synonyms: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methylphenyl)benzamide
Smiles: COc1ccc(cc1OC)C(=O)N(c1ccccc1C)Cc1cc2cccc(c2nc1O)C
STL001856
Synonyms: 1,3-dimethyl-8-[3-(propan-2-yloxy)propyl]-7-(4-{[3-(propan-2-yloxy)propyl]amino}phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(OCCCNc1ccc(cc1)c1cn2c(n1CCCOC(C)C)nc1c2c(=O)n(C)c(=O)n1C)C
STL001857
Synonyms: 2,6-dimethoxy-4-[(E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cccc(c1)c1nnc(n1/N=C/c1cc(OC)c(c(c1)OC)OC(=O)C)S
STL001858
Synonyms: 3-amino-N-(2-bromo-4-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(c(c1)Br)NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1
STL001859
Synonyms: 7-(4-chlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STL001860
Synonyms: 1-(9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Smiles: CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(CC2)C(=O)N)/C1=O)C
STL001861
Synonyms: methyl[9-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: COC(=O)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1ccc(cc1)OC
STL001862
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(C1CCCCC1)C)c1nonc1N)CC
STL001863
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)/C
STL001864
Synonyms: N-[5-(2-amino-2-oxoethyl)-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]-4-bromobenzamide
Smiles: CN1C(=O)C(N(C1=S)NC(=O)c1ccc(cc1)Br)CC(=O)N
STL001866
Synonyms: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1cccnc1)Cc1cc2cccc(c2nc1O)C
STL001867
Synonyms: ethyl[9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cc(C)cc(c1)C
STL001868
Synonyms: 3-hexyl-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)C
STL001869
Synonyms: ethyl7-(4-iodophenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)I)N=O
STL001870
Synonyms: tert-butyl{(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl}carbamate
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C
STL001871
Synonyms: (5Z)-5-(4-ethylbenzylidene)-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)C
STL001873
Synonyms: 1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccc(cc2)F)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl
STL001874
Synonyms: 5-(4-bromophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(CCCn2cncc2)C(=O)C(=C1C(=O)c1ccccc1)O
STL001875
Synonyms: 7-(4-chlorophenyl)-8-(3-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)Cl
STL001876
Synonyms: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[(2-methylbenzyl)sulfanyl]-N-phenylpyridine-3-carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCc2ccccc2C)nc(c1C(=O)Nc1ccccc1)C
STL001877
Synonyms: N-(4-fluorophenyl)-2-[(2E)-2-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzylidene)hydrazinyl]-2-oxoacetamide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)C(=O)Nc1ccc(cc1)F
STL001878
Synonyms: N'-{(E)-[4-(diethylamino)phenyl]methylidene}-5-methoxy-1,2-dimethyl-1H-indole-3-carbohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)c1c(C)n(c2c1cc(OC)cc2)C)CC
STL001879
Synonyms: 2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanedioicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
STL001880
Synonyms: [3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]aceticacid
Smiles: OC(=O)CN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)C
STL001881
Synonyms: 4-[(4-bromophenyl)carbonyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccccc1C1N(CCCn2cncc2)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O
STL001882
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccccc2)/C)nc2c(c1=O)cccc2
STL001883
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethylphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL001884
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1N
STL001886
Synonyms: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenylacetate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2C(C)C)c2nonc2N)ccc1OC(=O)C
STL001887
Synonyms: (5E)-1-(3-chlorophenyl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O
STL001888
Synonyms: 3-{3-hydroxy-5-(4-methoxyphenyl)-4-[(4-methylphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoicacid
Smiles: COc1ccc(cc1)C1C(=C(C(=O)N1c1cccc(c1)C(=O)O)O)C(=O)c1ccc(cc1)C
STL001889
Synonyms: 4,4'-sulfanediylbis(2-methylquinoline)
Smiles: Cc1cc(Sc2cc(C)nc3c2cccc3)c2c(n1)cccc2
STL001890
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCCCC1
STL001891
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(s1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N
STL001892
Synonyms: (12aS)-6-(3-bromophenyl)-2-(2-methoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Br)[nH]c2c1cccc2
STL001893
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N)/C
STL001894
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2-chlorophenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CSc1ccccc1)C(=O)N/N=C(/c1ccccc1Cl)\C
STL001895
Synonyms: 5-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)Cc2ccc(cc2)F)c(n(c1=O)C)N1CCN(CC1)C
STL001896
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/C=C/c1ccccc1
STL001897
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)OC)\C
STL001898
Synonyms: 5-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(morpholin-4-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2Cl)c(n(c1=O)C)N1CCOCC1
STL001899
Synonyms: 3-butyl-9-(3,5-dimethylphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cc(C)cc(c1)C
STL001900
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Cc1ccc(o1)/C=N/n1c(S)nnc1c1ccccc1Cl
STL001901
Synonyms: N-(4-ethylphenyl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nc(C)nc2c1oc1c2cccc1
STL001902
Synonyms: N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
Smiles: Clc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)c1cccnc1)C(F)(F)F
STL001903
Synonyms: 4-amino-N'-{(E)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1,2,5-oxadiazole-3-carbohydrazide
Smiles: Cc1ccc(c(c1)Br)c1ccc(o1)/C=N/NC(=O)c1nonc1N
STL001904
Synonyms: 3-amino-N-(2,5-dimethylphenyl)-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccc(cc1)C)N)C(=O)Nc1cc(C)ccc1C
STL001905
Synonyms: N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(2-nitrophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1[N+](=O)[O-])CN1C(=O)NC(C1=O)(C)C
STL001906
Synonyms: 5-(4-ethylphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1OC)OC)OC
STL001907
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Clc1cccc(c1)c1nnc(n1/N=C/c1ccc(cc1)OCc1ccccc1)S
STL001908
Synonyms: 2-chloro-6-(4-chlorophenyl)-7-(2-fluorophenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nc2n(n1)C(C1=C(N2)c2cc(Cl)ccc2OC1c1ccc(cc1)Cl)c1ccccc1F
STL001909
Synonyms: 1-[(E)-{[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]naphthalen-2-ol
Smiles: Cc1cccc(c1)c1nnc(n1/N=C/c1c(O)ccc2c1cccc2)S
STL001910
Synonyms: 8-(1,3-benzodioxol-5-yl)-7-(4-ethoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCOc1ccc(cc1)c1cn2c(n1c1ccc3c(c1)OCO3)nc1c2c(=O)n(C)c(=O)n1C
STL001911
Synonyms: 4-chloro-2-[6-(4-nitrophenyl)-4-phenylpyridin-2-yl]phenol
Smiles: Clc1ccc(c(c1)c1nc(cc(c1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])O
STL001912
Synonyms: 9a-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-7-ethyl-9,9-dimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: CCc1ccc2c(c1)C(C)(C)C1(N2CC(=O)N1)/C=C/c1cc(OC)ccc1OC
STL001913
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Clc1cccc(c1)c1nnc(n1/N=C/c1ccccc1[N+](=O)[O-])S
STL001914
Synonyms: N'-[(1E)-1-(naphthalen-1-yl)ethylidene]pyridine-2-carbohydrazide
Smiles: O=C(c1ccccn1)N/N=C(/c1cccc2c1cccc2)\C
STL001915
Synonyms: 4,11,11-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C)Nc1ccccc1C(F)(F)F
STL001916
Synonyms: tert-butyl[(1S)-1-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-(1H-indol-3-yl)ethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)SCc1cccc(c1)Cl)Cc1c[nH]c2c1cccc2
STL001917
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1O)O
STL001918
Synonyms: 3-(2-ethoxyethyl)-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1)OC
STL001919
Synonyms: N-(1-benzofuran-2-ylmethyl)-4-butoxy-N-propylbenzenesulfonamide
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)N(Cc1cc2c(o1)cccc2)CCC
STL001920
Synonyms: 1-[(E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]naphthalen-2-ol
Smiles: Clc1cccc(c1)c1nnc(n1/N=C/c1c(O)ccc2c1cccc2)S
STL001921
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/c1ccc(cc1)Br
STL001923
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(S)nnc1c1ccccc1Cl
STL001924
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dichlorophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL001925
Synonyms: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C
STL001926
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(3-methylphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2)C)nc2c(c1=O)cccc2
STL001927
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCC(CC1)Cc1ccccc1
STL001928
Synonyms: 1-(3-phenylprop-2-yn-1-yl)-1-(prop-2-en-1-yl)piperidinium
Smiles: C=CC[N+]1(CCCCC1)CC#Cc1ccccc1
STL001929
Synonyms: 2-[5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoicacid
Smiles: CCOc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1C(=O)O
STL001930
Synonyms: 5-methyl-6-(3-nitrophenyl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Smiles: CN1c2ccccc2c2n(C1c1cccc(c1)[N+](=O)[O-])c1ccccc1n2
STL001931
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H)-trione
Smiles: COc1ccc(cc1OC)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C2(c1c(C)[nH]n(c1=O)c1ccccc1)C(F)(F)F
STL001932
Synonyms: 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1ccccc1Cl
STL001933
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1O)OC
STL001934
Synonyms: 1-(2-phenylethyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(S)nc(c2c1CCCC2)CCc1ccccc1
STL001935
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1ccccc1C)S
STL001936
Synonyms: (5E)-1-(2,5-dimethoxyphenyl)-5-[4-(dimethylamino)-3-nitrobenzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O)OC
STL001937
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-(benzyloxy)phenyl]methylidene}-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1
STL001938
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-cyclohex-3-en-1-ylmethylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C1CCC=CC1)C
STL001939
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N)OC
STL001940
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CCCOc1ccc(cc1)/C=N/n1c(S)nnc1c1cccc(c1)OCC
STL001941
Synonyms: 5-(3-methylphenyl)-4-{[(E)-pyridin-3-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Cc1cccc(c1)c1nnc(n1/N=C/c1cccnc1)S
STL001942
Synonyms: 1-[(E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]naphthalen-2-ol
Smiles: Sc1nnc(n1/N=C/c1c(O)ccc2c1cccc2)c1ccccc1Cl
STL001943
Synonyms: 9-(4-ethylphenyl)-1,7-dimethyl-3-pentyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCCn1c(=O)c2n3CC(C)CN(c3nc2n(c1=O)C)c1ccc(cc1)CC
STL001944
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-phenylethylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC(c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccccc1)\C)C
STL001945
Synonyms: 3-(2-ethoxyethyl)-9-(4-ethoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)OCC
STL001946
Synonyms: N-(2,5-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]-3,4,5-trimethoxybenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(c1cc(C)ccc1C)Cc1cc2ccccc2nc1O
STL001947
Synonyms: 2,2-diphenyl-N-(4-{[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]carbonyl}phenyl)acetamide
Smiles: O=C(c1ccc(cc1)NC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccnc1
STL001948
Synonyms: 4-(1-benzofuran-2-ylcarbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1onc(c1)N1C(c2ccc(cc2)C(C)(C)C)C(=C(C1=O)O)C(=O)c1cc2c(o1)cccc2
STL001949
Synonyms: N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL001950
Synonyms: (5Z)-1-butyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=S)NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O
STL001951
Synonyms: 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1
STL001952
Synonyms: N-(4-bromo-2-fluorophenyl)-2-oxo-2-{(2E)-2-[1-(pyridin-4-yl)ethylidene]hydrazinyl}acetamide
Smiles: Brc1ccc(c(c1)F)NC(=O)C(=O)N/N=C(/c1ccncc1)\C
STL001953
Synonyms: 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N
STL001955
Synonyms: (5E)-1-(2,5-dimethoxyphenyl)-5-({[3-(dimethylamino)propyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)N1C(=S)NC(=O)/C(=C\NCCCN(C)C)/C1=O)OC
STL001956
Synonyms: ethyl2-[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Smiles: CCOC(=O)c1ccccc1n1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C
STL001957
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-phenylpropylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)/c1ccccc1
STL001959
Synonyms: N~2~-(3-chlorophenyl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N)OC
STL001960
Synonyms: [(3Z)-3-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]aceticacid
Smiles: OC(=O)CN1c2ccccc2/C(=N/NC(=O)c2nnn(c2c2ccccc2Cl)c2nonc2N)/C1=O
STL001961
Synonyms: 8-cyclohexyl-7-(2,4-dichlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccc(c(c1)Cl)c1cn2c(n1C1CCCCC1)nc1c2c(=O)n(C)c(=O)n1C
STL001962
Synonyms: 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(4-ethylphenyl)ethanone
Smiles: CCc1ccc(cc1)C(=O)CSc1nc(CC)nc2c1oc1c2cccc1
STL001963
Synonyms: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(=O)n(c(=O)n2C)C
STL001964
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STL001965
Synonyms: N-(2-methoxyphenyl)-5,7-dinitroquinolin-8-amine
Smiles: COc1ccccc1Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]
STL001966
Synonyms: 3-(2,5-dimethylbenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cc(C)ccc1C
STL001967
Synonyms: 9-(4-ethylphenyl)-3-(2-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F
STL001968
Synonyms: N-{(2R)-1-[(5-chloro-2,4-dimethoxyphenyl)amino]-1-oxopropan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: COc1cc(OC)c(cc1NC(=O)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C)Cl
STL001969
Synonyms: N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2cccc3c2cccc3)cc(c1O)OC
STL001970
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O
STL001971
Synonyms: 5-(4-tert-butylphenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1OC)CCn1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C
STL001972
Synonyms: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(c(c1)C)OC
STL001973
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)/C
STL001974
Synonyms: 6-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1ccccc1CC
STL001975
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1sccc1C
STL001976
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2)Oc2ccccc2)nc2c(c1=O)cccc2
STL001977
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1O)OC
STL001978
Synonyms: 3-[(4-chlorophenyl)(hydroxy)amino]-1-(naphthalen-1-yl)pyrrolidine-2,5-dione
Smiles: Clc1ccc(cc1)N(C1CC(=O)N(C1=O)c1cccc2c1cccc2)O
STL001979
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methoxyphenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N
STL001980
Synonyms: (12bS)-7-(2-chlorophenyl)-12b-methyl-2-[3-(morpholin-4-yl)propyl]-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCN1CCOCC1
STL001981
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2C)[N+](=O)[O-])C)/C1=O
STL001982
Synonyms: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)C)c2nonc2N)cc(c1OC(=O)C)OC
STL001983
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-difluorophenyl)methylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(F)ccc1F
STL001984
Synonyms: 2-chloro-7-(4-methoxyphenyl)-10-(methylsulfanyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nn2c(n1)NC1=C(C2c2ccc(cc2)OC)C(Oc2c1cc(Cl)cc2)c1ccccc1
STL001985
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-cyclohex-3-en-1-ylmethylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C1CCC=CC1
STL001986
Synonyms: 8-(decylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C
STL001988
Synonyms: N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccco1)C(F)(F)F
STL001989
Synonyms: ({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)aceticacid
Smiles: CCc1ccc(cc1)OCC(Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)O
STL001990
Synonyms: prop-2-en-1-yl2-[3-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)c1ccc(cc1C)OCc1ccccc1
STL001991
Synonyms: 7-(4-ethoxyphenyl)-8-(3-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCOc1ccc(cc1)c1cn2c(n1c1cccc(c1)OC)nc1c2c(=O)n(C)c(=O)n1C
STL001992
Synonyms: 9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)Cn1c(=O)c2n3CC(C)CN(c3nc2n(c1=O)C)c1ccc(c(c1)C)C
STL001993
Synonyms: N'-[(1E)-1-(3-nitrophenyl)ethylidene]-3-(propan-2-yl)-1H-pyrazole-5-carbohydrazide
Smiles: CC(c1n[nH]c(c1)C(=O)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C)C
STL001994
Synonyms: 4-tert-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(3-methoxyphenyl)benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccccc2nc1O
STL001995
Synonyms: N-({1-[N-(tert-butoxycarbonyl)-L-leucyl]piperidin-4-yl}carbonyl)-L-leucine
Smiles: CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)OC(C)(C)C)C
STL001996
Synonyms: (5E)-1-(prop-2-en-1-yl)-5-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCCN1CCCc2c1ccc(c2)/C=C/1\C(=O)NC(=S)N(C1=O)CC=C
STL001997
Synonyms: N'-[(E)-(3-chlorophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1)N/N=C/c1cccc(c1)Cl
STL001998
Synonyms: (5E)-1-benzyl-5-{[(3-ethoxypropyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOCCCN/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1
STL001999
Synonyms: N-[1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide
Smiles: Clc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1ccccc1F)C(F)(F)F)C(=O)CC(C2)(C)C
STL002000
Synonyms: N-(4-ethoxyphenyl)-2-oxo-2-{(2E)-2-[1-(pyridin-4-yl)ethylidene]hydrazinyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)C(=O)N/N=C(/c1ccncc1)\C
STL002002
Synonyms: propyl4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CCCOC(=O)CCCN1C(=S)S/C(=C\c2ccccc2)/C1=O
STL002003
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide
Smiles: COc1ccccc1N(C(=O)c1cccnc1)Cc1cc2ccc(cc2nc1O)C
STL002005
Synonyms: 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1cccc(c1)c1nnc(n1/N=C/c1ccc(c(c1)OCc1ccccc1)OC)S
STL002006
Synonyms: 4-fluoro-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-methylbenzamide
Smiles: Fc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2nc1O)C
STL002007
Synonyms: methyl(2E)-[2-(2-methoxyphenyl)hydrazinylidene]{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoate
Smiles: COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccccc1OC)/C(=O)OC
STL002008
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STL002009
Synonyms: N'-[(2-methylphenoxy)acetyl]-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
Smiles: O=C(CCn1c2CCCCc2c2c1cccc2)NNC(=O)COc1ccccc1C
STL002010
Synonyms: N-(4-ethoxyphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)CC)Cc1cc2cccc(c2nc1O)C
STL002011
Synonyms: 3-(3-ethoxypropyl)-5-phenyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylbenzoate
Smiles: CCOCCCn1cc(c2c1nc(c1ccccc1)n1c2nc2c1cccc2)OC(=O)c1ccccc1
STL002012
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methylphenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N
STL002013
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-difluorophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)F
STL002014
Synonyms: 2-methoxy-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)NC(c1ccccc1)C)c1nnc2n1nc(C)c1c2cccc1
STL002015
Synonyms: 1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1O)C1N(c2ccc(c(c2)Cl)C)C(=O)C(=C1C(=O)c1ccccc1)O
STL002017
Synonyms: 1-benzyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CC1=NC(C2=C(N1Cc1ccccc1)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F
STL002018
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-3,4,5-trimethoxybenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(c1cccc(c1C)C)Cc1cc2cccc(c2nc1O)C
STL002019
Synonyms: 2-[(E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-ethoxyphenol
Smiles: CCOc1cccc(c1O)/C=N/n1c(S)nnc1c1cccc(c1)Cl
STL002020
Synonyms: 3-butyl-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)C
STL002021
Synonyms: 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1O)C1C(=C(C(=O)N1CC1CCCO1)O)C(=O)c1ccc(cc1)Cl
STL002022
Synonyms: 7-(4-ethoxyphenyl)-8-(2-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCOc1ccc(cc1)c1cn2c(n1c1ccccc1F)nc1c2c(=O)n(C)c(=O)n1C
STL002023
Synonyms: ethyl2-[(5-chloro-2-hydroxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NCc2cc(Cl)ccc2O)sc2c1CCCC2
STL002024
Synonyms: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(s2)Br)nc2c(c1=O)cccc2
STL002025
Synonyms: N'-[(E)-biphenyl-4-ylmethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)c2ccccc2)nc2c(c1=O)cccc2
STL002026
Synonyms: 2-[(3-chlorophenyl)amino]-3-{(E)-[(3-chlorophenyl)imino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Clc1cccc(c1)/N=C/c1c(Nc2cccc(c2)Cl)nc2n(c1=O)cccc2C
STL002027
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1cccc(c1)OC)\C
STL002028
Synonyms: 4,4',4''-(nitrilotrimethanediyl)tris(2,6-di-tert-butylphenol)
Smiles: CC(c1cc(CN(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C
STL002029
Synonyms: 3-(4-chlorophenyl)-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C/2\C(=O)Nc3c2cccc3)nc2c(c1=O)cccc2
STL002030
Synonyms: 2-[(E)-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoicacid
Smiles: N#Cc1c(C)c(/N=N/c2ccccc2C(=O)O)c(n(c1=O)C)O
STL002031
Synonyms: methyl{8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: COC(=O)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STL002032
Synonyms: N'-[(E)-(3,4-dichlorophenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)Cl)Cl)nc2c(c1=O)cccc2
STL002033
Synonyms: 10a-{(E)-2-[4-(diethylamino)phenyl]ethenyl}-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: CCN(c1ccc(cc1)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1)CC
STL002034
Synonyms: 3,3'-[benzene-1,3-diylbis(oxybenzene-3,1-diyloxy)]dipyridine
Smiles: c1ccc(cn1)Oc1cccc(c1)Oc1cccc(c1)Oc1cccc(c1)Oc1cccnc1
STL002035
Synonyms: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C
STL002036
Synonyms: ethyl(3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C([C@@]21c1ccccc1N(C2=O)CC(=O)N)C#N)N
STL002037
Synonyms: 4-[(4-chlorophenyl)carbonyl]-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(OC)ccc1C1N(CC2CCCO2)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O
STL002038
Synonyms: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)Cn1c(nc2c1cccc2)c1nonc1N)OC
STL002039
Synonyms: 4-[(E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenol
Smiles: COc1cc(/C=N/n2c(S)nnc2c2ccccc2Cl)cc(c1O)OC
STL002041
Synonyms: 7-benzyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)CN1CCCCC1
STL002042
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N
STL002043
Synonyms: 3-(2-ethoxyethyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)C
STL002044
Synonyms: 1,4-dimethyl-6-(4-methylpiperidin-1-yl)-2-oxo-5-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)C(c2ccccc2)C)c(n(c1=O)C)N1CCC(CC1)C
STL002045
Synonyms: 5-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)CCCC(=O)O)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl
STL002046
Synonyms: 2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/C=C/c1ccccc1
STL002047
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(cc1)[N+](=O)[O-])c1ccccc1Cl
STL002048
Synonyms: 10,10-dimethyl-10a-{(E)-2-[2-(pentyloxy)phenyl]ethenyl}-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: CCCCCOc1ccccc1/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1
STL002049
Synonyms: 2-bromo-N-(2,5-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccccc1Br)Cc1cc2cccc(c2nc1O)C)C
STL002050
Synonyms: N-{2-[(3-chloro-4-methoxyphenyl)carbonyl]-1-benzofuran-3-yl}-4-ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)Cl)OC
STL002051
Synonyms: methyl[1-(3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
Smiles: COCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)/C1=O
STL002052
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butanoate
Smiles: O=C(N[C@H]1CCCCNC1=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL002053
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(1E)-1-[4-(2-methylpropyl)phenyl]ethylidene}-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC(c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)CC(C)C)\C)C
STL002054
Synonyms: 4-methyl-4-(2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}ethyl)morpholin-4-ium
Smiles: O=C(c1oc2c(c1C)cccc2)OCC[N+]1(C)CCOCC1
STL002055
Synonyms: 9-(4-ethylphenyl)-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CC(C)C
STL002056
Synonyms: 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1cccc(c1)/C=N/n1c(S)nnc1c1cccc(c1)C
STL002058
Synonyms: (4Z)-2-(2,4-dichlorophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one
Smiles: Clc1ccc(c(c1)Cl)C1=N/C(=C\c2cccs2)/C(=O)O1
STL002059
Synonyms: 3-(2-methyl-1H-indol-3-yl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1c(C)[nH]c2c1cccc2
STL002061
Synonyms: 4-(3-methyl-1-benzofuran-2-yl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1oc2cc3CCCc3cc2c(c1)c1oc2c(c1C)cccc2
STL002063
Synonyms: 1,7-dimethyl-9-(4-methylphenyl)-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)C
STL002065
Synonyms: N,1,4-tris(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl
STL002066
Synonyms: 10a-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: CCOc1ccc(cc1OCC)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1
STL002067
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(OC)ccc1OC
STL002068
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CN(c1ccc(cc1)c1nnc(n1/N=C/c1ccccc1[N+](=O)[O-])S)C
STL002069
Synonyms: 3,4-dichloro-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Smiles: COc1ccc(cc1)/C=C/c1nnc(s1)NC(=O)c1ccc(c(c1)Cl)Cl
STL002070
Synonyms: 1-ethyl-N'-hexadecanoyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)CC
STL002071
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
STL002072
Synonyms: 4-(3-fluorophenyl)-3-(4-methylphenyl)-5-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Smiles: Fc1cccc(c1)C1c2c(n[nH]c2C(=O)N1c1ccccc1)c1ccc(cc1)C
STL002073
Synonyms: 4-[(2,4-dichlorobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1ncnc2c1oc1c2cccc1
STL002074
Synonyms: (9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(4-fluorophenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)F
STL002075
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(C)nn(c1Cl)c1ccccc1
STL002076
Synonyms: N-(6-bromo-1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2nc3c(s2)cc(cc3)Br)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STL002077
Synonyms: 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1ccc(c(c1)OC)OCc1ccccc1)S
STL002078
Synonyms: N-(4-chlorobenzyl)-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-amine
Smiles: Clc1ccc(cc1)CNc1nc2c(n1CCN1CCOCC1)cccc2
STL002079
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C)nc2c(c1=O)cccc2
STL002080
Synonyms: N'-[(E)-(4-ethoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC
STL002081
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(4-nitro-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1ncc(c1)[N+](=O)[O-])N/N=C/c1ccccc1O
STL002082
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1OC)OC
STL002083
Synonyms: butyl4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2
STL002084
Synonyms: 7-(2-chlorobenzyl)-8-[(2-chlorobenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1CNc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C
STL002085
Synonyms: methyl3-acetyl-8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Smiles: COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccccc1)C(=O)C)c1ccccc1
STL002086
Synonyms: 4-{[5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2
STL002087
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2c(OC)cc(cc2OC)OC)nc2c(c1=O)cccc2
STL002088
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(biphenyl-4-yl)ethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)c1ccccc1)\C
STL002089
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Brc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL002090
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1C(=O)N)C(=O)N/N=C/c1ccccc1Cl
STL002092
Synonyms: 3-(2-fluorobenzyl)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F
STL002093
Synonyms: N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1
STL002094
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc2c(c1)OCO2
STL002095
Synonyms: (5Z)-1-(4-ethoxyphenyl)-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O
STL002096
Synonyms: (5Z)-2-(4-methylpiperazin-1-yl)-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazol-4(5H)-one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(F)(F)F)/S1
STL002097
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-hydroxyphenyl)ethylidene]-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Oc1cccc(c1)/C(=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1N)/C
STL002098
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1N/N=C/c1cccc(c1OC)OC)S
STL002100
Synonyms: 5-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: CCN1CCN(CC1)c1c(/C=C/2\SC(=S)N(C2=O)CC)c(C)c(c(=O)n1C)C#N
STL002101
Synonyms: 3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]quinolin-2(1H)-one
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C(=O)/C=C/c1cc2ccccc2[nH]c1=O
STL002102
Synonyms: 1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)Br)C(=O)C(=C1C(=O)c1ccc(cc1)C)O
STL002103
Synonyms: 1-methyl-3-(3-methylbutyl)-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1)C)C
STL002104
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(E)-(3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OC
STL002105
Synonyms: 2-chloro-N-(2,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1Cl)Cc1cc2cccc(c2nc1O)C
STL002106
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N
STL002107
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)/c1ccc2c(c1)OCO2
STL002108
Synonyms: N-(4-ethoxyphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)CC)Cc1cc2cc(C)ccc2nc1O
STL002109
Synonyms: (9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-{[2-(piperazin-1-yl)ethyl]amino}butanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1[C@H]2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCN1CCNCC1
STL002110
Synonyms: N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)/C
STL002111
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: [O-][N+](=O)c1ccccc1/C=N/n1c(S)nnc1c1ccccc1Cl
STL002113
Synonyms: 2-[4,6-bis(4-methoxyphenyl)pyridin-2-yl]-4-chlorophenol
Smiles: COc1ccc(cc1)c1cc(nc(c1)c1cc(Cl)ccc1O)c1ccc(cc1)OC
STL002114
Synonyms: 5-(furan-2-yl)-4-{[(E)-naphthalen-1-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc2c1cccc2)c1ccco1
STL002115
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-cyanophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: N#Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)/C
STL002116
Synonyms: 4-[(E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzene-1,2-diol
Smiles: Sc1nnc(n1/N=C/c1ccc(c(c1)O)O)c1ccccc1Cl
STL002117
Synonyms: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F
STL002118
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1ccccc1[N+](=O)[O-])S
STL002119
Synonyms: (2,2,2',2',4,4'-hexamethyl-1,2,3,4-tetrahydro-4,6'-biquinolin-1'(2'H)-yl)(4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)N1c2ccc(cc2C(=CC1(C)C)C)C1(C)CC(C)(C)Nc2c1cccc2
STL002121
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1c(OC)cc(cc1OC)/C=N/n1c(S)nnc1c1ccc(cc1)N(C)C
STL002122
Synonyms: 4-chloro-2-[4-(4-fluorophenyl)-6-phenylpyridin-2-yl]phenol
Smiles: Fc1ccc(cc1)c1cc(nc(c1)c1cc(Cl)ccc1O)c1ccccc1
STL002123
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-phenylbutanamide
Smiles: CCCC(=O)N(c1ccccc1)Cc1cc2cc(C)ccc2nc1O
STL002124
Synonyms: N-{5-[(E)-2-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccccc1Cl)/c1nnc(s1)NC(=O)c1ccccc1
STL002125
Synonyms: ethyl(1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)acetate
Smiles: CCOC(=O)Cn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1
STL002126
Synonyms: 2-[(Z)-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)quinazolin-4(3H)-one
Smiles: OCCCn1c(/C=C/2\C(=O)N(c3c2cccc3)CC)nc2c(c1=O)cccc2
STL002127
Synonyms: 3-amino-6-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1ccc(cc1)F
STL002128
Synonyms: 10-(cyclopropylcarbonyl)-3-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cc(OC)c(c(c1)OC)OC)C(=O)C1CC1
STL002130
Synonyms: 3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCC(CC1)C)CSc1nnnn1c1ccccc1
STL002131
Synonyms: N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Smiles: COc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccco1
STL002132
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C(C)C)c2nonc2N)cc(c1OC)OC
STL002133
Synonyms: N'-[(E)-anthracen-9-ylmethylidene]-2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)N/N=C/c1c2ccccc2cc2c1cccc2
STL002135
Synonyms: 1-[1-(4-chlorophenyl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Smiles: CCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F
STL002136
Synonyms: 2-(2-methoxy-5-{(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
STL002137
Synonyms: (5E)-1-(4-methoxybenzyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)CN1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)/C1=O
STL002138
Synonyms: 4-{[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoicacid
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O
STL002139
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC(Oc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)C
STL002140
Synonyms: 2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
Smiles: CC(c1ccccc1)NS(=O)(=O)c1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1
STL002141
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=C\c1ccco1)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1N
STL002142
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(1E)-1-(3-hydroxyphenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1cccc(c1)O)\C)CSc1nnc(s1)SCc1ccccc1
STL002144
Synonyms: methyl5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccc(cc1)OC
STL002145
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STL002146
Synonyms: N'-[(E)-(3-chlorophenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/c1cccc(c1)Cl
STL002147
Synonyms: 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Clc1cccc(c1)c1nnc(n1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])S
STL002148
Synonyms: 7-(4-ethoxyphenyl)-8-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCOc1ccc(cc1)c1cn2c(n1c1ccc(cc1)OC)nc1c2c(=O)n(C)c(=O)n1C
STL002149
Synonyms: 3-cyclohexyl-1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Smiles: COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NC2CCCCC2)C)cc2c1OCO2
STL002150
Synonyms: (4Z)-4-(3-chloro-4-nitrobenzylidene)-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1ccc(c(c1)Cl)[N+](=O)[O-])c1ccccc1F
STL002151
Synonyms: 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-phenylethanone
Smiles: CCc1nc(SCC(=O)c2ccccc2)c2c(n1)c1ccccc1o2
STL002152
Synonyms: 2-(3,5-dimethoxyphenyl)-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(OC)cc(c1)c1nn2c(n1)c1cnn(c1nc2)c1ccc(cc1)C
STL002153
Synonyms: N'-[(E)-(3-methoxyphenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C
STL002155
Synonyms: methyl5-phenyl-2-(3-phenyl-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1nc(sc1c1ccccc1)n1nc(c2c1nc1ccccc1n2)c1ccccc1
STL002156
Synonyms: 4-bromo-2-[(E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Smiles: Brc1ccc(c(c1)/C=N/n1c(S)nnc1c1ccccc1Cl)O
STL002157
Synonyms: N-(3,5-dimethylphenyl)-5,7-dinitroquinolin-8-amine
Smiles: Cc1cc(cc(c1)C)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]
STL002158
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: Cc1ccc(o1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N
STL002159
Synonyms: N-[(E)-(3-methylphenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: Cc1cccc(c1)/C=N/n1cnnc1
STL002160
Synonyms: 3-benzyl-9-(3-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1cccc(c1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1
STL002162
Synonyms: tert-butyl{(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C)C)Cc1ccccc1
STL002163
Synonyms: 1-methyl-3-(4-methylbenzyl)-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1cccc(c1)C
STL002164
Synonyms: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)CCC1=CCCCC1
STL002165
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
STL002166
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(1E)-1-(2-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccccc1/C(=N/NC(=O)c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)/C
STL002167
Synonyms: 2-{(E)-[(5-bromopyridin-2-yl)imino]methyl}-4-methyl-6-nitrophenol
Smiles: Brc1ccc(nc1)/N=C/c1cc(C)cc(c1O)[N+](=O)[O-]
STL002168
Synonyms: N-(3-chlorophenyl)-2-oxo-2-{(2E)-2-[1-(pyridin-4-yl)ethylidene]hydrazinyl}acetamide
Smiles: Clc1cccc(c1)NC(=O)C(=O)N/N=C(/c1ccncc1)\C
STL002169
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(3-methoxyphenyl)benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccccc1)Cc1cc2ccc(cc2nc1O)C
STL002170
Synonyms: 1-(3-bromophenyl)-N-(3-chlorobenzyl)-9H-beta-carboline-3-carboxamide
Smiles: Clc1cccc(c1)CNC(=O)c1nc(c2cccc(c2)Br)c2c(c1)c1ccccc1[nH]2
STL002171
Synonyms: 1-{5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxyphenyl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1ccc(cc1C)Cl
STL002172
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-(2-methoxyphenyl)-4-methylbenzamide
Smiles: COc1ccccc1N(C(=O)c1ccc(cc1)C)Cc1cc2cc(C)ccc2nc1O
STL002173
Synonyms: 6-(4-bromophenyl)-7-(4-methoxyphenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1n2nc(nc2NC2=C1C(Oc1c2cccc1)c1ccc(cc1)Br)SC
STL002174
Synonyms: [3-amino-6-(4-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](1,3-benzodioxol-5-yl)methanone
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)c1ccc2c(c1)OCO2
STL002175
Synonyms: 9-(4-ethylphenyl)-1-methyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C
STL002176
Synonyms: 3,4,5-trimethoxy-N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)Nc1nnc(s1)/C=C/c1ccccc1
STL002177
Synonyms: 1-benzyl-8-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/Nc2nc3c(n2C)c(=O)n(c(=O)n3C)Cc2ccccc2)ccc1O
STL002178
Synonyms: ethyl[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: CCOC(=O)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1ccc(cc1)CC
STL002179
Synonyms: 6-cyclopropyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCCS(=O)(=O)c2ccc(cc2)C)nc(cc1C(F)(F)F)C1CC1
STL002181
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C1Nc2c(/C/1=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N)cccc2
STL002182
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Cc1ccccc1/C=N/n1c(S)nnc1c1ccccc1F
STL002183
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)OCC)\C
STL002184
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N)cccc2
STL002185
Synonyms: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-N-(2-methylphenyl)-4-nitrobenzamide
Smiles: O=C(N(c1ccccc1C)Cc1cc2cccc(c2nc1O)C)c1ccc(cc1)[N+](=O)[O-]
STL002187
Synonyms: 4-[(4-chlorophenyl)carbonyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1cc(ccc1O)C1N(CCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O
STL002188
Synonyms: 3-(2-methoxyethyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)C
STL002189
Synonyms: 7-(4-bromobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)CNc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C
STL002190
Synonyms: 4-(3,5-dimethyl-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one
Smiles: Cc1ccc2c(c1)c(C)c(o2)c1cc(=O)oc2c1cc(C)cc2
STL002191
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1C(=O)N)C(=O)N/N=C(/c1ccccn1)\C
STL002192
Synonyms: 4-{(Z)-[4-oxo-2-(pyrrolidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCCC1
STL002193
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-{(E)-[3-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1cccc(c1)C(F)(F)F
STL002194
Synonyms: 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc(c1Cl)Cl)c1ccccn1
STL002195
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)F)\C
STL002196
Synonyms: 3-methyl-8-(octylsulfanyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C
STL002197
Synonyms: N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccc(c(c2)Cl)Cl)\C)nc2c(c1=O)cccc2
STL002198
Synonyms: 4-{[2-(2-{(Z)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-3-yl)ethyl]amino}-4-oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)[nH]c2c1cccc2
STL002199
Synonyms: (2E)-N-[7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nc2n(n1)C(CC(=O)N2)c1ccc(cc1)Cl)/C=C/c1cccc(c1)[N+](=O)[O-]
STL002200
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazole
Smiles: Clc1ccc(cc1)CSc1nnc(s1)SCc1cccc2c1cccc2
STL002201
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc(c1)[N+](=O)[O-])c1ccccc1Cl
STL002202
Synonyms: 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NCCCCCC(=O)N1CCC2(C(C1)CCCC2)O
STL002203
Synonyms: dimethyl1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Smiles: COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OC)c1ccc(cc1)Br
STL002204
Synonyms: tert-butyl(3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Smiles: N#CC1=C(N)OC(=C([C@]21c1ccccc1N(C2=O)CC(=O)N)C(=O)OC(C)(C)C)C
STL002205
Synonyms: 4-[3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1)O
STL002206
Synonyms: 1-benzyl-3-[4-(pentafluorophenoxy)phenyl]urea
Smiles: O=C(Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F)NCc1ccccc1
STL002207
Synonyms: ethylN-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C
STL002208
Synonyms: 3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)OC(C)C)CCCN1CCOCC1
STL002209
Synonyms: [(2E)-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/c2ccccc2O)/N(C1=O)c1ccc(cc1)O
STL002210
Synonyms: tert-butyl{(2S)-1-[4-({(2S)-1-[(4-ethylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl}carbamate
Smiles: CCc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C
STL002211
Synonyms: 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(CC2)C(=O)N)/C1=O
STL002213
Synonyms: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoicacid
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/c1ccccc1C(=O)O
STL002214
Synonyms: [(4-chlorophenyl)amino]({[(E)-(6-methoxynaphthalen-2-yl)methylidene]amino}oxy)methanone
Smiles: COc1ccc2c(c1)ccc(c2)/C=N/OC(=O)Nc1ccc(cc1)Cl
STL002215
Synonyms: 8-[(2-aminoethyl)amino]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCNc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C
STL002216
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)propylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)/c1ccc(cc1)O
STL002217
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dichlorophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=C/c1ccc(c(c1)Cl)Cl
STL002218
Synonyms: 3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)C
STL002219
Synonyms: 8-[(3,3-diphenylpropyl)amino]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(NCCC(c2ccccc2)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STL002220
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(o1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL002221
Synonyms: N,N'-bis(4-chloro-2-nitrophenyl)pentane-1,5-diamine
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NCCCCCNc1ccc(cc1[N+](=O)[O-])Cl
STL002222
Synonyms: 10,10-dimethyl-10a-[(E)-2-(4-propoxyphenyl)ethenyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: CCCOc1ccc(cc1)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1
STL002223
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,5-dimethylthiophen-3-yl)ethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1cc(sc1C)C)\C
STL002224
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-furan-2-ylmethylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccco1
STL002225
Synonyms: 8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Oc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1
STL002226
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
STL002227
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)C)c2nonc2N)cc(c1O)OC
STL002228
Synonyms: 7-[2-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-chromen-2-one
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N1CCC2(C(C1c1ccccc1)CCCC2)O
STL002229
Synonyms: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Br)c(c(c1)OC)O
STL002230
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(2-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccccc1OC)\C
STL002232
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccccc1OC)Cc1cc2ccc(cc2nc1O)C
STL002233
Synonyms: ethyl1-nitroso-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccccc1)N=O
STL002234
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1ccc(cc1)CN1CCCCC1
STL002235
Synonyms: 5-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2Cl)c(n(c1=O)C)N1CCN(CC1)C
STL002236
Synonyms: 5-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)OCC)c1ccccc1
STL002237
Synonyms: 3-butyl-9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cc(C)cc(c1)C
STL002238
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1N
STL002239
Synonyms: 9a-[(E)-2-(2-chloro-6,8-dimethylquinolin-3-yl)ethenyl]-9,9-dimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: Cc1cc2cc(/C=C/C34NC(=O)CN3c3c(C4(C)C)cccc3)c(nc2c(c1)C)Cl
STL002240
Synonyms: 6-(2-fluorophenyl)-7-(4-methylphenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nn2c(n1)NC1=C(C2c2ccc(cc2)C)C(Oc2c1cccc2)c1ccccc1F
STL002241
Synonyms: 7,8-bis(1,3-benzodioxol-5-yl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)n(c(=O)n1C)C
STL002242
Synonyms: 1-butyl-2-(3-methoxyphenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazole
Smiles: CCCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1cccc(c1)OC
STL002243
Synonyms: 1-hexyl-4-hydroxy-2-oxo-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-1,2-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)c(cc2OC)OC)c(c2c1cccc2)O
STL002244
Synonyms: 2-(4-bromophenyl)-7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1cccc(c1)C
STL002245
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2N)cc(c1O)OC
STL002246
Synonyms: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(Sc2nnc(s2)C)nc2c1c(=O)[nH]c(=O)n2C
STL002247
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc2c(c1)OCO2
STL002248
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(OC)c(c(c1)OC)O
STL002249
Synonyms: N,N'-{[4-(2-methylpropoxy)benzene-1,3-diyl]dimethanediyl}bis(N,N-dimethylethanaminium)
Smiles: CC[N+](Cc1cc(ccc1OCC(C)C)C[N+](CC)(C)C)(C)C
STL002250
Synonyms: N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(1H-indol-3-yl)-1H-pyrazole-5-carbohydrazide
Smiles: O=C(c1[nH]nc(c1)c1c[nH]c2c1cccc2)N/N=C/c1c(O)ccc2c1cccc2
STL002251
Synonyms: methyl7-(4-ethylphenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCc1ccc(cc1)N1C(=O)CC2(C1=O)CC(=NN2N=O)C(=O)OC
STL002252
Synonyms: (12aS)-6-(3-chlorophenyl)-2-(3,4-dimethoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1OC)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Cl)[nH]c2c1cccc2
STL002253
Synonyms: 1-[4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)C)c1ccccc1
STL002254
Synonyms: N~4~-(2,5-dimethoxyphenyl)-N~2~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N)OC
STL002255
Synonyms: 4-[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenylacetate
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccccc1
STL002256
Synonyms: 3-ethyl-1,7-dimethyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cccc(c1)C
STL002257
Synonyms: 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2c(OC)cc(cc2OC)OC)nnc1c1ccccc1
STL002258
Synonyms: 1-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxyphenyl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)CSCc1ccccc1
STL002260
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
STL002261
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1ccccc1Cl
STL002263
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccccc1)Cc1cc2ccc(cc2nc1O)C
STL002264
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2CC)c2ccc(cc2)C(C)(C)C)cc(c1O)OC
STL002265
Synonyms: 5-(3-ethoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1OC)OC)OC
STL002266
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)c1nnn(c1C(C)C)c1nonc1N)CC
STL002268
Synonyms: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=C(C(N1CCCn1cncc1)c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1)O
STL002269
Synonyms: 8-benzyl-4-ethyl-1-[(4-fluorobenzyl)sulfanyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCn1c(=O)c2c3CCN(Cc3sc2n2c1nnc2SCc1ccc(cc1)F)Cc1ccccc1
STL002270
Synonyms: benzyl[9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: COc1cccc(c1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)OCc1ccccc1
STL002271
Synonyms: 6-(2-chlorophenyl)-7-(4-methylphenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nn2c(n1)NC1=C(C2c2ccc(cc2)C)C(Oc2c1cccc2)c1ccccc1Cl
STL002272
Synonyms: 4-[(4-methylphenyl)carbonyl]-3-(morpholin-4-yl)-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(N2CCOCC2)C(=O)N(C1c1ccccc1)c1ccccc1
STL002273
Synonyms: 4-chloro-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Smiles: Clc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1)[N+](=O)[O-])O
STL002274
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(4-methoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1ccc(cc1)OC)S
STL002275
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1cccc(c1)c1nnc(n1/N=C/c1ccc(cc1)C)S
STL002276
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: Oc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N
STL002277
Synonyms: 2,4-dibromo-6-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1cc(Br)cc(c1O)Br)S
STL002278
Synonyms: 2-[(3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(3-nitrophenyl)acetamide
Smiles: CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)Nc1cccc(c1)[N+](=O)[O-]
STL002279
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC(Oc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(C1CCCCC1)C)c1nonc1N)C
STL002280
Synonyms: N'-[(E)-(2-bromophenyl)methylidene]-2-methylfuran-3-carbohydrazide
Smiles: Brc1ccccc1/C=N/NC(=O)c1ccoc1C
STL002281
Synonyms: 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1cccc(c1)c1nnc(n1/N=C/c1ccc(s1)Br)S
STL002282
Synonyms: ethyl[2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1csc(n1)NC(=O)CSc1nc(N)c2c(n1)sc1c2CCCC1
STL002283
Synonyms: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]butanamide
Smiles: CCCC(=O)N(c1ccc(cc1C)C)Cc1cc2cccc(c2nc1O)C
STL002284
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/C(=C/c1ccco1)/C
STL002285
Synonyms: 3-(4-chlorobenzyl)-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl
STL002286
Synonyms: tert-butyl[(2S)-1-[4-({(2R)-1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate
Smiles: CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)C)C)NC(=O)OC(C)(C)C
STL002287
Synonyms: prop-2-en-1-yl2-{3-hydroxy-5-(4-hydroxyphenyl)-4-[(4-methoxy-2-methylphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)O)C(=C(C1=O)O)C(=O)c1ccc(cc1C)OC
STL002288
Synonyms: N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
STL002289
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)N(C)C
STL002290
Synonyms: (5Z)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(2,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C1=O
STL002291
Synonyms: 9-(4-methoxyphenyl)-1-methyl-3-(naphthalen-1-ylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc2c1cccc2
STL002292
Synonyms: 3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-(phenylcarbonyl)-5-[4-(propan-2-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(Oc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1ccccc1)O)C
STL002293
Synonyms: N-{4-[5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1
STL002294
Synonyms: 6-bromo-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(/C=C/c2ccc(cc2)O)nc2c(c1=O)cc(cc2)Br
STL002295
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1
STL002296
Synonyms: 4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl6-{[(benzyloxy)carbonyl]amino}hexanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)CCCCCNC(=O)OCc1ccccc1
STL002297
Synonyms: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1
STL002298
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)/C
STL002299
Synonyms: 4-bromo-2-[(E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Smiles: Clc1cccc(c1)c1nnc(n1/N=C/c1cc(Br)ccc1O)S
STL002300
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)/c1ccncc1
STL002301
Synonyms: (2E)-2-[(4-bromophenyl)sulfonyl]-3-[2-(2,4-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2C)C)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccc(cc1)Br
STL002302
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C(/c1ccccc1O)\C
STL002303
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C1Nc2c(/C/1=N/NC(=O)c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)cccc2
STL002304
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL002305
Synonyms: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCSc1nc2c(n1C/C=C/C)c(=O)[nH]c(=O)n2C
STL002306
Synonyms: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O
STL002307
Synonyms: N'-{(E)-[3-(4-bromobenzyl)-4-chloro-2-oxo-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-2-(3-methylphenoxy)acetohydrazide
Smiles: O=C(COc1cccc(c1)C)N/N=C/c1sc(=O)n(c1Cl)Cc1ccc(cc1)Br
STL002308
Synonyms: ethyl1-acetyl-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1)C(=O)C
STL002309
Synonyms: 3-amino-N,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)c1ccc(cc1)OC)c1ccc(cc1)C
STL002310
Synonyms: 3-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)C
STL002311
Synonyms: N-carbamoyl-4-({(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/C#N
STL002312
Synonyms: N-[1-(4-benzylpiperazin-1-yl)-2,2,2-trichloroethyl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NC(C(Cl)(Cl)Cl)N1CCN(CC1)Cc1ccccc1
STL002313
Synonyms: 4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1
STL002314
Synonyms: 5-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1N=C(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)C(=O)c1ccccc1
STL002315
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C(C)C)c2nonc2N)cc(c1O)OC
STL002316
Synonyms: (2E)-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1c(Oc2ccccc2F)nc2n(c1=O)cccc2C)/C(=O)NCc1ccco1
STL002317
Synonyms: ethyl7-(4-methoxyphenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)OC)N=O
STL002318
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)OC)O
STL002319
Synonyms: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccc(cc1)OC
STL002320
Synonyms: 6-(3,4-dimethylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1ccc(c(c1)C)C
STL002321
Synonyms: 9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1cccc(c1)Cn1c(=O)c2n3CC(C)CN(c3nc2n(c1=O)C)c1ccc(c(c1)C)C
STL002322
Synonyms: 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C
STL002323
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1cccc(c1)c1nnc(n1/N=C/c1cccc(c1)[N+](=O)[O-])S
STL002324
Synonyms: 5-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C
STL002325
Synonyms: 1-{4-[2-(diphenylmethoxy)ethoxy]-4-methylpent-2-yn-1-yl}piperidine
Smiles: CC(C#CCN1CCCCC1)(OCCOC(c1ccccc1)c1ccccc1)C
STL002326
Synonyms: 7-(4-chlorophenyl)-1,3-dimethyl-8-(naphthalen-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccc(cc1)c1cn2c(n1c1cccc3c1cccc3)nc1c2c(=O)n(C)c(=O)n1C
STL002328
Synonyms: 3-(5-bromo-2-hydroxyphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Br)ccc1O
STL002329
Synonyms: N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(4-methoxyphenyl)-3-nitrobenzamide
Smiles: COc1ccc(cc1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2ccc(cc2nc1O)C
STL002330
Synonyms: 1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Smiles: CCC(=O)c1c(c2ccc(cc2)F)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl
STL002331
Synonyms: N-(2,5-dimethylphenyl)-2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: CCc1nc(SCC(=O)Nc2cc(C)ccc2C)c2c(n1)c1ccccc1o2
STL002332
Synonyms: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-{(1E)-1-[4-(1H-pyrrol-1-yl)phenyl]ethylidene}acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C(/c1ccc(cc1)n1cccc1)\C
STL002333
Synonyms: 1-(4-chlorobenzyl)-3,7-dimethyl-8-[(4-methylpiperazin-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl
STL002334
Synonyms: 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CCC1=NC(C2=C(N1Cc1ccccc1)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F
STL002335
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1)C
STL002336
Synonyms: 3-(4-chlorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1)C
STL002337
Synonyms: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C
STL002338
Synonyms: ethyl3-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(=S)n(c1C)c1ccc(cc1)OC
STL002339
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-furan-2-ylmethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=C/c1ccco1
STL002340
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/Nc1c(=O)n(n(c1C)C)c1ccccc1)c1cccc2c1cccc2
STL002341
Synonyms: N-cyclohexyl-N,4-dimethyl-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1c1nnc2n1nc(C)c1c2cccc1)S(=O)(=O)N(C1CCCCC1)C
STL002342
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1O)O
STL002343
Synonyms: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Smiles: O=C(N1CCN(CC1)c1ccccc1)CSc1ncnc2c1oc1c2cccc1
STL002344
Synonyms: 5,6-diphenylpyrazine-2,3-dicarbonitrile
Smiles: N#Cc1nc(c2ccccc2)c(nc1C#N)c1ccccc1
STL002345
Synonyms: 5-(4-tert-butylphenyl)-6-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(c(c1)n1cc2c(c1c1ccc(cc1)C(C)(C)C)c(=O)n(c(=O)n2C)C)OC
STL002346
Synonyms: methyl3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Smiles: COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1cccc(c1)C)C(=O)C)c1ccccc1
STL002347
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-furan-3-ylmethylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1cocc1
STL002348
Synonyms: 5-benzyl-2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)Cc1ccccc1)c1ccc(cc1)Cl
STL002349
Synonyms: 2-[(E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-4,6-diiodophenol
Smiles: Ic1cc(/C=N/n2c(S)nnc2c2ccccc2Cl)c(c(c1)I)O
STL002350
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)/C
STL002352
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)Cl)c1nonc1N
STL002353
Synonyms: tert-butyl{(2S)-4-methyl-1-oxo-1-[4-({(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}carbamoyl)piperidin-1-yl]pentan-2-yl}carbamate
Smiles: CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NC(c1ccccc1)C)C)NC(=O)OC(C)(C)C)C
STL002354
Synonyms: 5-(4-ethoxy-3-methoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O
STL002355
Synonyms: 2-chloro-8-methyl-3-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cc2cccc(c2nc1Cl)C)S(=O)(=O)C
STL002357
Synonyms: 8-[(3-ethoxypropyl)amino]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCCCOCC)nc2c1c(=O)[nH]c(=O)n2C
STL002359
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(2E)-1-phenoxypropan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)/COc1ccccc1
STL002360
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-[(cyclohexylmethyl)amino]-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCCCC1
STL002361
Synonyms: 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)N1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl
STL002362
Synonyms: N-butyl-4-methyl-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Smiles: CCCCNS(=O)(=O)c1ccc(c(c1)c1nnc2n1nc(C)c1c2cccc1)C
STL002363
Synonyms: 4-bromo-2-{(E)-[2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazinylidene]methyl}phenol
Smiles: Brc1ccc(c(c1)/C=N/Nc1nn2cnnc2c2c1cccc2)O
STL002364
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-furan-2-ylmethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1ccco1
STL002365
Synonyms: N-(5-{(Z)-2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-cyanoethenyl}-1,3,4-thiadiazol-2-yl)benzamide
Smiles: N#C/C(=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/c1nnc(s1)NC(=O)c1ccccc1
STL002366
Synonyms: 2-(3,4-dimethoxyphenyl)-N'-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)N/N=C/c1c(O)ccc2c1c1CCCCc1o2
STL002367
Synonyms: [4-(piperidin-1-ylsulfonyl)phenyl](1,4,7-trioxa-10-azacyclododecan-10-yl)methanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)N1CCOCCOCCOCC1
STL002368
Synonyms: (5Z)-5-(4-hydroxybenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Oc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
STL002369
Synonyms: 3-(2,4-dichlorobenzyl)-9-(4-ethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1Cl)Cl
STL002370
Synonyms: N-[4-(cyanomethyl)phenyl]-2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetamide
Smiles: N#CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c1ccco1
STL002371
Synonyms: 2-(benzylsulfanyl)-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)SCc1ccccc1)C
STL002372
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-N-(4-methylphenyl)-3-nitrobenzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2cc(C)ccc2nc1O
STL002373
Synonyms: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(2-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=C(C(N1CCCn1cncc1)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)O
STL002374
Synonyms: 5-(3,4-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1OC)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=C1C(=O)c1ccc(c(c1)C)OC)O
STL002375
Synonyms: 1-(2-{7-methoxy-6-[(Z)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
Smiles: CNC(=S)N(CCc1cc2OCOc2c(c1/C=C\1/C(=O)NC(=O)N(C1=O)C)OC)C
STL002376
Synonyms: N-(4-{[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1
STL002377
Synonyms: 2-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2cccs2)c2nonc2N)ccc1OCC(=O)N
STL002378
Synonyms: 2-fluoro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzamide
Smiles: COc1ccc(cc1)N(C(=O)c1ccccc1F)Cc1cc2ccc(cc2nc1O)C
STL002379
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1cccc(c1)c1nnc(n1/N=C/c1ccc(cc1)[N+](=O)[O-])S
STL002380
Synonyms: 3-(2-chlorobenzyl)-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl
STL002381
Synonyms: 1-cyclopropyl-3-(2-{2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)thiourea
Smiles: S=C(NC1CC1)NCCc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)[nH]c2c1cccc2
STL002382
Synonyms: (5Z)-5-[(morpholin-4-ylamino)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C/NN2CCOCC2)/C(=O)N1c1cccc(c1)C(F)(F)F
STL002383
Synonyms: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: CCN1CCN(CC1)c1c(/C=C/2\SC(=S)N(C2=O)CCCc2ccccc2)c(C)c(c(=O)n1C)C#N
STL002384
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc2c(c1)OCO2)\C
STL002385
Synonyms: N-cyclohexyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c(C(=O)NC2CCCCC2)n2c3c1CCCCn3c(c2)c1ccc(cc1)F
STL002386
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(c(c1)Cl)Cl)c1nonc1N)N/N=C(/c1ccco1)\C
STL002387
Synonyms: 4-tert-butyl-N-[(2-hydroxyquinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzamide
Smiles: COc1ccccc1N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccccc2nc1O
STL002388
Synonyms: 5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[6-hydroxy-3-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methyl)-3-(4-methylphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydro
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)C)c1c(=O)[nH]c(=S)n(c1[O-])c1ccc(cc1)C
STL002389
Synonyms: 4-(4-methoxyphenyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: COc1ccc(cc1)C1=[N+]([O-])C(N(C1(C)C)O)(C)C
STL002390
Synonyms: 3-(3-chlorobenzyl)-9-(4-ethoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl
STL002391
Synonyms: 4-(1-benzofuran-2-ylcarbonyl)-5-(3,4-dichlorophenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1onc(c1)N1C(c2ccc(c(c2)Cl)Cl)C(=C(C1=O)O)C(=O)c1cc2c(o1)cccc2
STL002392
Synonyms: 4-tert-butyl-N-(2,4-dimethylphenyl)-N-[(2-hydroxyquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccccc2nc1O
STL002393
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1H-indol-3-ylmethylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1c[nH]c2c1cccc2
STL002394
Synonyms: 3-{5-[(3-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Cc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccnc1
STL002395
Synonyms: 8-(butylsulfanyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C
STL002396
Synonyms: 3-(furan-2-yl)-1-(pyridin-2-ylmethoxy)quinoxalin-2(1H)-one4-oxide
Smiles: [O-][n+]1c(c2ccco2)c(=O)n(c2c1cccc2)OCc1ccccn1
STL002397
Synonyms: 6-(2-ethylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCc1ccccc1n1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C
STL002398
Synonyms: (2E)-2-(1H-benzimidazol-2-yl)-3-[2-(2,4-dichlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2Cl)Cl)nc2n(c1=O)cccc2)/c1nc2c([nH]1)cccc2
STL002399
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)N/N=C/c1c[nH]c2c1cccc2
STL002400
Synonyms: methyl1-acetyl-5-(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)C
STL002401
Synonyms: 3-butyl-5-[(3-butyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl){3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl]-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCCCn1c(=S)[nH]c(=O)c(c1[O-])C(c1c(O)[nH]c(=S)n(c1=O)CCCC)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)OC
STL002402
Synonyms: 3-(3-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1
STL002403
Synonyms: 3-benzyl-9-(3,5-dimethylphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2cc(C)cc(c2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1ccccc1
STL002404
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1c(OC)cc(cc1OC)/C=N/n1c(S)nnc1c1ccccc1Cl
STL002405
Synonyms: 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
Smiles: Brc1ccccc1C1Nc2ccccc2N=C(C1)c1ccccc1
STL002406
Synonyms: (4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[4-(prop-2-en-1-yloxy)benzylidene]-1,3-oxazol-5(4H)-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\N=C(OC1=O)c1cc(F)c(cc1Cl)F
STL002407
Synonyms: 2-bromo-6-methoxy-4-[(E)-{[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Smiles: COc1cc(/C=N/n2c(S)nnc2c2cccc(c2)C)cc(c1O)Br
STL002409
Synonyms: 5-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,4-dimethyl-2-oxo-6-(piperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCc2ccc(cc2)OC)c(n(c1=O)C)N1CCCCC1
STL002410
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-fluorophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
STL002411
Synonyms: N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccc(cc1)OC)Cc1cc2cccc(c2nc1O)C
STL002412
Synonyms: benzyl[9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: CCOc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)OCc1ccccc1
STL002413
Synonyms: 7-(2-fluorophenyl)-6-(4-fluorophenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nn2c(n1)NC1=C(C2c2ccccc2F)C(Oc2c1cccc2)c1ccc(cc1)F
STL002414
Synonyms: 7-(2,4-dichlorophenyl)-1,3-dimethyl-8-pentyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCCCCn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl
STL002415
Synonyms: N'-[(1E)-1-(2-chlorophenyl)ethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccccc2Cl)\C)nc2c(c1=O)cccc2
STL002416
Synonyms: N-(1,1,1,3,3,3-hexafluoro-2-{2-[(4-fluorophenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}propan-2-yl)pyridine-3-carboxamide
Smiles: Fc1ccc(cc1)NC1=C(C(=O)CC(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)c1cccnc1
STL002417
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2-fluorophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Fc1ccccc1/C=N/n1c(S)nnc1c1ccccc1Cl
STL002418
Synonyms: 2-methyl-N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
Smiles: O=C(c1ccccc1C)Nc1cccc(c1)c1nnc2n1nc(C)c1c2cccc1
STL002419
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate
Smiles: COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)OC
STL002420
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C/c1ccc(o1)C
STL002421
Synonyms: 5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[1-(3-fluorophenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methyl)-3-(3-fluorophenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydro
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)F)c1c(=O)[nH]c(=S)n(c1[O-])c1cccc(c1)F
STL002422
Synonyms: 2-{4-[(2-phenylethyl)amino]quinazolin-2-yl}phenol
Smiles: Oc1ccccc1c1nc(NCCc2ccccc2)c2c(n1)cccc2
STL002423
Synonyms: 5-(4-butoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1OC)OC)OC
STL002425
Synonyms: 3-(2-chlorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl
STL002426
Synonyms: 9-(4-ethylphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1C
STL002428
Synonyms: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2cn1C12CC3CC(C2)CC(C1)C3)C
STL002429
Synonyms: 7-(2-ethoxyethyl)-3-methyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC(C1)C
STL002430
Synonyms: 3-amino-N,6-bis(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2
STL002431
Synonyms: 1-methyl-9-(3-methylphenyl)-3-(3-phenylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1
STL002433
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-furan-2-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: CCOc1ccc(cc1)c1nnc(n1/N=C/c1ccco1)S
STL002434
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)O
STL002435
Synonyms: 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1)c1ccc(cc1)F
STL002436
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCCNc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C
STL002437
Synonyms: (5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-1-(2-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/NC1CCN(CC1)Cc1ccccc1)c1ccccc1Cl
STL002438
Synonyms: 3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCCSc1nnnn1c1ccccc1)c(n2)N1CCCCC1)C
STL002439
Synonyms: {2-(4-fluorophenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=C(C1c1ccc(cc1)F)C(=O)c1ccc(cc1)C)O
STL002440
Synonyms: methyl3-[(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate
Smiles: COC(=O)CCSc1nc2c3ccccc3CC(c2c(=O)[nH]1)(C)C1CCCCC1
STL002441
Synonyms: 6-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3ccc(c4)O)/CC[C@]12C
STL002442
Synonyms: (5Z)-3-(4-hydroxyphenyl)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2ccccn2)/C1=O
STL002444
Synonyms: N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-4-(1H-pyrrol-1-yl)benzohydrazide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1ccc(cc1)n1cccc1
STL002445
Synonyms: 8-(ethylamino)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C
STL002446
Synonyms: 3-bromo-1,7,7-trimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
Smiles: CN1CCN(CC1)C(=O)C12CCC(C2(C)C)(C(=O)C1Br)C
STL002447
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(o1)C
STL002448
Synonyms: methyl[9-(3-methoxyphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Smiles: COC(=O)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1cccc(c1)OC
STL002449
Synonyms: 2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc3oc4c(c3cc2OC)cccc4)nnc1c1ccco1
STL002450
Synonyms: 3-hydroxy-1-(4-methylphenyl)-4-[(4-nitrophenyl)carbonyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccc(cc1)[N+](=O)[O-])O
STL002451
Synonyms: N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(CN(Cc1ccccc1)Cc1ccccc1)O
STL002452
Synonyms: 1-[4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Smiles: CCC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl
STL002453
Synonyms: 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)N2CCCc3c2cccc3)c2c(n1)c1ccccc1o2
STL002454
Synonyms: 3-(2-chlorobenzyl)-11-(5-chloro-2-methylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1ccc(c(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1Cl)C
STL002455
Synonyms: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)c1cccc(c1)Cl
STL002456
Synonyms: 3-{2-(2,4-dimethoxyphenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoicacid
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1cccc(c1)C(=O)O)O)C(=O)c1ccc(cc1)C
STL002457
Synonyms: 5-{(6-hydroxy-4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-6-oxo-1-phenyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccccc1)c1c([O-])[nH]c(=S)n(c1=O)c1ccccc1
STL002459
Synonyms: 1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-propan-2-ylthiourea
Smiles: CC(NC(=S)NC1(C)CCS(=O)(=O)C1)C
STL002460
Synonyms: N-[2-(diethylamino)ethyl]-2-({[(3E)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetamide
Smiles: CCN(CCNC(=O)CO/N=C/1\CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C)CC
STL002461
Synonyms: N'-[(E)-(2-methoxyphenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C
STL002462
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1ccc(cc1)N(C)C
STL002463
Synonyms: (5E)-1-(2-chlorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/C=C/c1ccco1)c1ccccc1Cl