FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK543967
Synonyms: 2-[(3-hydroxypropyl)amino]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCN1C(=S)S/C(=C\c2c(NCCCO)nc3n(c2=O)cc(cc3)C)/C1=O

STK543968
Synonyms: ethyl{[6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I

STK543969
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3

STK543971
Synonyms: N-(4-chlorophenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK543972
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1Z)-1-(4-fluorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(cc1)F)/C)CSc1nc2c(o1)cccc2

STK543973
Synonyms: 6,6-dimethyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK543974
Synonyms: (2E,5Z)-5-[4-(octyloxy)benzylidene]-2-{[2-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/NC1=O

STK543975
Synonyms: 9-(4-bromophenyl)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)c1c(CC2)cccc1

STK543976
Synonyms: ethyl4-({[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK543977
Synonyms: 4-{(Z)-[2-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N\NC(=O)CSc2nnc(n2CC)c2ccc(c(c2)OC)OC)cc(c1OC(=O)C)OC

STK543978
Synonyms: methyl2-(acetylamino)-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C

STK543979
Synonyms: N-benzyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK543981
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCn1c(SCc2ccc(cc2)OC)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK543982
Synonyms: N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: Fc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)CC1CCCO1

STK543983
Synonyms: 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3C)/C1=O

STK543984
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-methoxyphenyl)carbonyl]-8-(4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1

STK543985
Synonyms: 3-(2-methoxyphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(/C=C/c2ccc(cc2)C)nc2c(c1=O)cccc2

STK543986
Synonyms: 4-chloro-N-[1-(4-methoxybenzyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c1ccccc1

STK543987
Synonyms: 3-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Clc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)Cl)O

STK543988
Synonyms: 2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK543989
Synonyms: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK543991
Synonyms: 2-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]quinoxaline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1c1cccc(c1)C(F)(F)F)nc1c(n2)cccc1

STK543992
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1cc(Br)ccc1F

STK543993
Synonyms: (2E)-3-(4-fluorophenyl)-N-[(2-nitrophenyl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1ccccc1[N+](=O)[O-])NC(=O)/C=C/c1ccc(cc1)F

STK543996
Synonyms: 9-(4-methylphenyl)-2-(naphthalen-1-yl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc2c1cccc2

STK543999
Synonyms: N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)CCc1ccccc1

STK544002
Synonyms: 6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoicacid
Smiles: [O-][N+](=O)c1c(NCCCCCC(=O)O)ccc2c1nsn2

STK544005
Synonyms: 1-(2-methoxyphenyl)-2-{[(2-methylphenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(NC(=O)c2ccccc2C)n(c2c1nc1ccccc1n2)c1ccccc1OC

STK544006
Synonyms: N-benzyl-2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544007
Synonyms: methyl4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)F)c1cccs1

STK544008
Synonyms: N-(2-{(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-2-(3-methylphenoxy)acetamide(non-preferredname)
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CNC(=O)COc1cccc(c1)C)/C

STK544009
Synonyms: 4-(2-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccccc1C)c1cccnc1

STK544011
Synonyms: 7-benzyl-3-methyl-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2Cc1ccccc1)SCc1ccc2c(c1)cccc2

STK544012
Synonyms: 3-(2,5-dibromophenyl)-2-pentylquinazolin-4(3H)-one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK544013
Synonyms: 3-benzyl-11-(3-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1

STK544014
Synonyms: N-(4-bromophenyl)-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK544015
Synonyms: methyl4-{6-[(3,5-dichlorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(Cl)cc(c1)Cl)nc1c2cccc1

STK544016
Synonyms: 3-(4-bromophenyl)-2-(2-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(=O)c2ccccc2nc1c1ccccc1[N+](=O)[O-]

STK544017
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK544019
Synonyms: (3aS,6aS)-5-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544020
Synonyms: 2'-(2,4-dichlorophenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK544022
Synonyms: N-(2,4-dichlorophenyl)-2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK544024
Synonyms: 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK544025
Synonyms: N-(4-chlorophenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK544026
Synonyms: (4E)-5-(4-chlorophenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)Cl

STK544027
Synonyms: 2-(butylsulfanyl)-5-ethyl-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCCCSc1nc2c3ccccc3CC(c2c(=O)n1c1ccccc1)(C)CC

STK544028
Synonyms: 6-{(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Brc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK544029
Synonyms: 2-cyano-N-cyclopropyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)C)C(=O)NC1CC1

STK544030
Synonyms: 3,6,6-trimethyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(Oc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C)C

STK544031
Synonyms: 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C

STK544032
Synonyms: 3-benzyl-2-[(Z)-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2ccccc2N(C1=O)Cc1ccccc1)Cc1ccccc1

STK544033
Synonyms: ethyl(2Z)-cyano[5-(4-fluorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoate
Smiles: CCOC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)F)/C#N

STK544034
Synonyms: N-(3-methoxyphenyl)-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1cccc(c1)OC

STK544035
Synonyms: 3,7-bis[(4-methoxyphenyl)carbonyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1)OC)CCC)C(=O)c1ccc(cc1)OC

STK544036
Synonyms: methyl4-{6-[(2,5-dimethylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK544038
Synonyms: 2,5-bis[(3-phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole
Smiles: c1ccc(cc1)C#CCSc1nnc(s1)SCC#Cc1ccccc1

STK544040
Synonyms: ethyl3-[(benzylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cccc2

STK544041
Synonyms: N-(4-chlorophenyl)-11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK544042
Synonyms: 8-iodo-3,4-dimethyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2H-chromen-2-one
Smiles: Cc1ccc(cc1)C(=O)COc1ccc2c(c1I)oc(=O)c(c2C)C

STK544043
Synonyms: 2-amino-4-(2-fluoro-5-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: COc1ccc(c(c1)C1C(=C(N)OC2=C1C(=O)CCC2)C#N)F

STK544044
Synonyms: methyl(1R,2R,3S)-1-[(4-chlorophenyl)carbonyl]-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccco2)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK544045
Synonyms: 8-(2-ethoxyphenyl)-9-(heptylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1OCC)CCc1c3cccc1

STK544048
Synonyms: N-(2-{4-[(4-methylphenyl)carbonyl]piperazin-1-yl}-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2c3c1cccc3ccc2

STK544049
Synonyms: (2E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-phenylprop-2-en-1-one
Smiles: COc1cc2cc(/C=C/C(=O)c3ccccc3)c(nc2cc1OC)Cl

STK544050
Synonyms: 2-[(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK544051
Synonyms: 2'-(2,4-dichlorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1Cl)Cl

STK544053
Synonyms: 2-(2-nitrophenyl)-3-phenylquinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccccc1c1nc2ccccc2c(=O)n1c1ccccc1

STK544057
Synonyms: (3aS,6aS)-5-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)c1ccccc1

STK544058
Synonyms: N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)OC

STK544059
Synonyms: ethyl3-{[(4-methoxyphenyl)carbamoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(cc1)OC)cccc2

STK544060
Synonyms: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-[4-(4-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccc(cc2)Cl)ccc1OCc1ccccc1

STK544061
Synonyms: (6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK544062
Synonyms: 7-hexyl-1,3-dimethyl-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

STK544063
Synonyms: N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)pyridine-3-carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccnc1

STK544064
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-nitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK544065
Synonyms: (2Z)-N-(4-bromophenyl)-2-cyano-2-[5-(4-methoxybenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C(=O)Nc1ccc(cc1)Br

STK544067
Synonyms: (4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1ncccn1

STK544068
Synonyms: ethyl5-amino-4-(4-nitrophenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1csc(c1c1ccc(cc1)[N+](=O)[O-])N

STK544069
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK544070
Synonyms: 1,4-bis(4-chlorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: C=CCNC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)Cl

STK544071
Synonyms: 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Br)c2c3n1cc(n3CCCC2)c1ccccc1

STK544073
Synonyms: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccc(cc1)C(C)C

STK544075
Synonyms: 3-(2,5-dibromophenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2)Br

STK544076
Synonyms: N-(3-chlorophenyl)-1,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)Cl)c1ccc(cc1)Cl

STK544077
Synonyms: 3-(2-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544078
Synonyms: ethyl[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544079
Synonyms: [(3Z)-3-(1-hydroxyethylidene)-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccccc1[N+](=O)[O-]

STK544080
Synonyms: (6Z)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1C)OCCn1c2ccccc2c(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F

STK544081
Synonyms: 6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: c1coc(c1)/C=N/Nc1ccc2n(n1)cnn2

STK544083
Synonyms: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCN1CCN(CC1)C)c1ccc(cc1)Br

STK544084
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccccc1F

STK544085
Synonyms: 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCCC(C)C

STK544086
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCN1CCNCC1)/O

STK544087
Synonyms: (3aR,6aS)-5-(4-methylphenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK544089
Synonyms: (4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCCN(C)C)/O

STK544090
Synonyms: (3aS,6aS)-3-(4-nitrophenyl)-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK544091
Synonyms: dipropan-2-yl[(2,5-dimethoxyphenyl)(phenylamino)methyl]phosphonate
Smiles: COc1ccc(c(c1)C(P(=O)(OC(C)C)OC(C)C)Nc1ccccc1)OC

STK544092
Synonyms: 4-(4-cyclohexylpiperazin-1-yl)-6,7-dimethoxy-2-phenylquinazoline
Smiles: COc1cc2c(cc1OC)nc(nc2N1CCN(CC1)C1CCCCC1)c1ccccc1

STK544093
Synonyms: N-(4-methoxyphenyl)-2-{[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(C)C

STK544094
Synonyms: N'-[(E)-(4-nitrophenyl)methylidene]-4-(propan-2-yloxy)benzohydrazide
Smiles: CC(Oc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-])C

STK544096
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544097
Synonyms: N-butyl-N-ethyl-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCN(c1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CC

STK544098
Synonyms: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)OCO4)nn2)CC(OC3)(C)C

STK544099
Synonyms: N-(3,4-difluorophenyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Smiles: O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(c(c1)F)F)C

STK544100
Synonyms: 5-(morpholin-4-yl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(Oc1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK544102
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C(\c1cccc(c1)[N+](=O)[O-])/C

STK544103
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Br

STK544104
Synonyms: 10,10-dimethyl-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(c(c1)OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)C(C)C

STK544105
Synonyms: (4E)-4-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)CC)Cc1cccnc1)/O

STK544106
Synonyms: 2-{3-[bis(2-methylpropyl)amino]quinoxalin-2-yl}-2-cyano-N-(2-phenylethyl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N(CC(C)C)CC(C)C)C(=O)NCCc1ccccc1

STK544107
Synonyms: 5-[3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: CCc1ccc(cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(c(c1)OC)OC

STK544108
Synonyms: 5-nitro-2-{[2-(pyridin-4-ylcarbonyl)hydrazinyl]carbonyl}benzoicacid
Smiles: O=C(c1ccc(cc1C(=O)O)[N+](=O)[O-])NNC(=O)c1ccncc1

STK544109
Synonyms: methyl(2Z)-{(2Z)-2-[(2E)-(4-chlorobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O

STK544110
Synonyms: methyl2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)O

STK544112
Synonyms: 6-iodo-3-phenyl-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCCc1ccccc1)c1ccccc1

STK544113
Synonyms: methyl2-(acetylamino)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc2c(n1)c(C)c(cc2)Cl)NC(=O)C

STK544114
Synonyms: (3aR,6aS)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK544115
Synonyms: 10-methyl-8,11-diphenyl-N-[3-(trifluoromethyl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccccc1)n1c(=N2)c(Nc2cccc(c2)C(F)(F)F)nc2c1cccc2)c1ccccc1

STK544117
Synonyms: 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C

STK544118
Synonyms: (1'R,2'S,3R)-1'-acetyl-7'-chloro-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)C)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)Cl

STK544119
Synonyms: N-methyl-N-phenyl-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N(c1ccccc1)C

STK544120
Synonyms: (6aR,6bS,9aR,10S)-8-(3-chlorophenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C=Cc1c2cccc1

STK544122
Synonyms: 3-amino-N-{2-[(4-fluorobenzyl)sulfanyl]phenyl}-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)CSc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK544123
Synonyms: 2-benzyl-4-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(SCc3ccccc3)nc(nc1s2)Cc1ccccc1

STK544124
Synonyms: 2-[(E)-2-(4-methylphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1)[N+](=O)[O-]

STK544126
Synonyms: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
Smiles: N#CC(C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STK544127
Synonyms: N-(3-chlorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK544128
Synonyms: (1'R,2'S,3R)-2'-[(4-chlorophenyl)carbonyl]-2-oxo-N-phenyl-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)Nc2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK544129
Synonyms: 10-methyl-N-(2-methylphenyl)-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)C)n1c(=N2)c(Nc2ccccc2C)nc2c1cccc2)c1ccccc1

STK544130
Synonyms: 1-benzyl-2'-(3,4-dichlorophenyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK544131
Synonyms: 2-(5-chloro-2-methylphenyl)-8-(tricyclo[3.3.1.1~3,7~]dec-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1/C(=C\3/C4CC5CC3CC(C4)C5)/C2C=C1)C

STK544132
Synonyms: N-(4-bromophenyl)-2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544133
Synonyms: 8-(2-ethoxyphenyl)-9-[(2-phenylethyl)sulfanyl]-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCOc1ccccc1n1c(SCCc2ccccc2)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK544135
Synonyms: 2-(4-methoxyphenyl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)C1C(CC(=O)N1c1ccccc1)C(=O)Nc1ccccc1

STK544136
Synonyms: methyl5-chloro-3-({2-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)Cl)C)cc(cc2)Cl

STK544137
Synonyms: (4Z)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: Oc1ccc(cc1)N1C(=O)C(=O)/C(=C(/c2ccccc2)\O)/C1c1ccccc1

STK544138
Synonyms: [4-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
Smiles: CC1CCc2c(C1)c1c(ncnc1s2)N1CCN(CC1)CC#N

STK544139
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C(\c1ccc(c(c1)Cl)Cl)/C

STK544140
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544144
Synonyms: 9'-bromo-2'-(4-methoxyphenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCC(CC1)c1ccccc1

STK544146
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(2-methyl-5-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544147
Synonyms: N-(4-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK544148
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544149
Synonyms: [3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)Cl

STK544151
Synonyms: 2-cyclopropyl-N'-{(1Z,2Z)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}quinoline-4-carbohydrazide
Smiles: C/C(=C/c1ccc(cc1)C(C)C)/C=N\NC(=O)c1cc(nc2c1cccc2)C1CC1

STK544152
Synonyms: N-(3,4-dimethylphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK544153
Synonyms: N-{1,1,1,3,3,3-hexafluoro-2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]propan-2-yl}-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(F)ccc2

STK544154
Synonyms: 3-[(4-methoxybenzyl)sulfanyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK544155
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2)[N+](=O)[O-]

STK544156
Synonyms: 1-(4-bromophenyl)-2-phenyl-1H-imidazo[4,5-b]quinoxaline
Smiles: Brc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccccc1

STK544157
Synonyms: 1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethanone
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)CN1CCCCC1)c1cccs1

STK544158
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544159
Synonyms: 2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544161
Synonyms: 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)CCN1CCCCC1)c1ccc(cc1)Br

STK544164
Synonyms: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methylN-[(4-methylphenyl)sulfonyl]glycinate
Smiles: O=C(CNS(=O)(=O)c1ccc(cc1)C)OCN1C(=O)c2c(C1=O)cccc2

STK544165
Synonyms: methyl2-{[(3-methoxynaphthalen-2-yl)carbonyl]amino}-4-methyl-5-phenylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(c1C)c1ccccc1

STK544166
Synonyms: N-[4-({3-[(2,4-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]acetamide
Smiles: COc1cc(OC)ccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK544168
Synonyms: 4-fluoro-N-[1-(4-methoxybenzyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccccc1

STK544169
Synonyms: N-benzyl-2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK544172
Synonyms: (4Z)-5-(4-chlorophenyl)-4-(1-hydroxyethylidene)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK544173
Synonyms: (1E)-N-hydroxy-2-[(1E)-N-hydroxyethanimidoyl]cyclopentanimine
Smiles: O/N=C(/C1CCC/C/1=N\O)\C

STK544174
Synonyms: 6-methyl-5-[4-(propan-2-yloxy)benzyl]-2-sulfanylpyrimidin-4-ol
Smiles: CC(Oc1ccc(cc1)Cc1c(C)nc(nc1O)S)C

STK544175
Synonyms: 9-ethyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CCn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544176
Synonyms: 10-methyl-N-(2-methylphenyl)-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK544177
Synonyms: 2-{[8,8-dimethyl-3-(4-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK544178
Synonyms: 1-(3-methoxyphenyl)-2-(4-nitrophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: COc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK544179
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2,3-dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc(c1Cl)Cl

STK544180
Synonyms: 2,6-dimethyl-N,N',4-triphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Smiles: O=C(C1=C(C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C)Nc1ccccc1

STK544181
Synonyms: 4-(2-phenylethyl)-7-(propan-2-yl)-1-(prop-2-en-1-ylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544183
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Oc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK544184
Synonyms: 2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544186
Synonyms: (2E)-1-{3-(4-bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-3-phenylprop-2-en-1-one
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)N(C)C)C(=O)/C=C/c1ccccc1

STK544187
Synonyms: ethyl1-amino-7-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCN(Cc1c(n2)N1CCOCC1)Cc1ccccc1

STK544188
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(3-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F

STK544189
Synonyms: N-(4-bromophenyl)-2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544190
Synonyms: 9-benzyl-2-(3,4-dimethoxybenzyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1

STK544192
Synonyms: 1-benzyl-9'-bromo-2'-(2-chlorophenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccccc1Cl

STK544194
Synonyms: N'-[(E)-(2-bromophenyl)methylidene]-2-[4-(4-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccccc1Br

STK544195
Synonyms: 2,2'-[(4-ethoxy-3-nitrobenzyl)imino]diethanol
Smiles: OCCN(Cc1ccc(c(c1)[N+](=O)[O-])OCC)CCO

STK544196
Synonyms: 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(C)C

STK544197
Synonyms: N-hexyl-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544198
Synonyms: N-[4-(acetylamino)phenyl]-2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544199
Synonyms: 2-imino-1-(4-methoxybenzyl)-10-methyl-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: C=CCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1C

STK544200
Synonyms: 3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK544201
Synonyms: 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N'-[(E)-(2-chloro-6,7-dimethoxyquinolin-3-yl)methylidene]acetohydrazide
Smiles: COc1cc2nc(Cl)c(cc2cc1OC)/C=N/NC(=O)COc1ccc(cc1)c1nc2ccc(cc2c(c1)c1ccccc1)Br

STK544204
Synonyms: ethyl5-chloro-3-{[(3,4-dichlorophenyl)carbamoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(c(c1)Cl)Cl)cc(cc2)Cl

STK544205
Synonyms: N-(3,5-dimethylphenyl)-11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK544206
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK544207
Synonyms: N-butyl-5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK544208
Synonyms: N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide
Smiles: CCOc1cccc(c1O)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1

STK544210
Synonyms: 10-methyl-N-(4-methylphenyl)-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK544212
Synonyms: N-(3-chlorophenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK544213
Synonyms: N-(4-butoxyphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK544215
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544216
Synonyms: 6-bromo-5-[(3-bromobenzyl)oxy]-2-tert-butyl-1-benzofuran-3-carboxylicacid
Smiles: Brc1cccc(c1)COc1cc2c(cc1Br)oc(c2C(=O)O)C(C)(C)C

STK544217
Synonyms: N-(naphthalen-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK544218
Synonyms: 6-iodo-3-(4-methylphenyl)-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544220
Synonyms: N-[1-(2-phenylethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK544221
Synonyms: 4-[3'-(4-methoxyphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-4-oxobutanoicacid
Smiles: COc1ccc(cc1)c1nn(cc1C1CC(=NN1C(=O)CCC(=O)O)c1cccs1)c1ccccc1

STK544222
Synonyms: 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2ccc(cc2)F)nc2c(c1=O)cc(cc2)I

STK544223
Synonyms: 2-chloro-6-methoxy-3-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)C

STK544226
Synonyms: 3,7-bis[(2-methylprop-2-en-1-yl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=C)C)nn1)CCCC3

STK544227
Synonyms: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-cyanophenyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C#N)nnc1c1ccc(cc1)OC

STK544228
Synonyms: N-{2-[(1Z)-1-cyano-3-phenylbut-1-en-1-yl]-4-phenyl-1,3-thiazol-5-yl}propanamide
Smiles: CCC(=O)Nc1sc(nc1c1ccccc1)/C(=C\C(c1ccccc1)C)/C#N

STK544230
Synonyms: 11-(4-bromophenyl)-3-cyclohexyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Brc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1

STK544232
Synonyms: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)CSc1nc2c(s1)cccc2

STK544234
Synonyms: ethyl4-(3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}quinoxalin-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1Nc1sc(c(c1C(=O)OCC)C)C

STK544235
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccccc1

STK544236
Synonyms: 1-[(2,6-difluorobenzyl)oxy]-3-phenylquinoxalin-2(1H)-one4-oxide
Smiles: Fc1cccc(c1COn1c(=O)c(c2ccccc2)[n+](c2c1cccc2)[O-])F

STK544237
Synonyms: 7-benzyl-8-(but-3-en-2-ylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CC(Sc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)C

STK544238
Synonyms: (8S,8aR)-6-amino-2-ethyl-8-(4-methoxynaphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(C#N)C#N

STK544239
Synonyms: 7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(cc1)OCc1ccccc1)c(c2)F

STK544240
Synonyms: (3aS,6aS)-5-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK544241
Synonyms: N,N-diethyl-N'-(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CC

STK544242
Synonyms: (2E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(quinolin-5-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/C(=O)Nc1cccc2c1cccn2

STK544243
Synonyms: 5,7-dipropyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCCC12CN3CC(C2=O)(CN(C1)C3C(C(C(CO)O)O)O)CCC

STK544244
Synonyms: N-(2,4-dichlorophenyl)-2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1ccc(cc1Cl)Cl)C

STK544245
Synonyms: N'-[(Z)-(3-bromophenyl)methylidene]-2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)N/N=C\c1cccc(c1)Br

STK544248
Synonyms: 3-(benzylsulfanyl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CC(OC3)(C)C

STK544249
Synonyms: 3-(2-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1Cl

STK544250
Synonyms: 2-{2-[3,4-dimethoxy-5-(piperidin-1-ylsulfonyl)phenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK544251
Synonyms: 9'-bromo-2'-(2-chlorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1Cl)Br

STK544253
Synonyms: 1-[(3-methylbutyl)sulfanyl]-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3)C

STK544257
Synonyms: 2-(3-bromophenyl)-1-(4-butylphenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: CCCCc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1cccc(c1)Br

STK544258
Synonyms: 2-amino-N-(4-ethoxyphenyl)-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK544259
Synonyms: 7-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: C/C(=C/CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)/Cl

STK544260
Synonyms: 8-chloro-3-{[(E)-(2-fluorophenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK544261
Synonyms: (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCN1CCOCC1)/O

STK544262
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544263
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(2-methyl-4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1C)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544265
Synonyms: ethyl2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCC4)sc2c1CCCC2

STK544267
Synonyms: 8-(2-ethylphenyl)-9-(propylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1CC)CCc1c3cccc1

STK544268
Synonyms: (2Z)-N-(4-chlorophenyl)-2-cyano-2-[5-(4-ethoxybenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: CCOc1ccc(cc1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)Cl)/C#N)/N(C1=O)c1ccccc1

STK544269
Synonyms: 4-(3-methylphenyl)-7-(propan-2-yl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C)C

STK544273
Synonyms: 2,5-dichloro-N-{3-[(3,4-dimethoxyphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544274
Synonyms: ethyl6-bromo-2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-5-methoxy-1-phenyl-1H-indole-3-carboxylate
Smiles: OCCN1CCN(CC1)Cc1n(c2ccccc2)c2c(c1C(=O)OCC)cc(c(c2)Br)OC

STK544275
Synonyms: (6aR,6bS,9aR,10S)-8-(4-acetylphenyl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc(cc1)C(=O)C)c1cccc(c1)[N+](=O)[O-]

STK544276
Synonyms: 3-(2-methylphenyl)-2-(3-nitrobenzyl)quinazolin-4(3H)-one
Smiles: O=c1n(c(Cc2cccc(c2)[N+](=O)[O-])nc2c1cccc2)c1ccccc1C

STK544277
Synonyms: 2-amino-1-benzyl-N-cyclopropyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)Cc1ccccc1)NC1CC1

STK544278
Synonyms: 3-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino]propan-1-ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544279
Synonyms: 4-[4-(pentyloxy)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

STK544280
Synonyms: N-(3-fluorophenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK544281
Synonyms: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2)ccc1OCc1ccccc1

STK544282
Synonyms: 3-benzyl-2-[(Z)-(1,5-dimethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2cc(C)ccc2N(C1=O)C)Cc1ccccc1

STK544283
Synonyms: N-(4-methoxyphenyl)-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK544285
Synonyms: N-(4-methoxyphenyl)-2-{[5-oxo-4-(2-phenylethyl)-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544286
Synonyms: 2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK544287
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3,5-dinitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK544288
Synonyms: 2-amino-1-(4-fluorobenzyl)-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)F

STK544290
Synonyms: N-(4-{[11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}phenyl)acetamide
Smiles: COc1cc(ccc1OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)NC(=O)C)nc1c2cccc1

STK544292
Synonyms: butyl(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)acetate
Smiles: CCCCOC(=O)Cc1c(C)nc(nc1O)S

STK544293
Synonyms: diphenylmethyl(1'R,2'S,3R)-2'-[(4-bromophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK544294
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK544295
Synonyms: N-(4-butylphenyl)-11-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK544297
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-{(E)-[4-(benzyloxy)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1ccc(cc1)OCc1ccccc1

STK544299
Synonyms: 3-(4-methylphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK544300
Synonyms: 2-[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3

STK544301
Synonyms: N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(cs2)c1ccc(cc1)F)C

STK544302
Synonyms: 2-(benzylsulfanyl)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544303
Synonyms: (4-chlorophenyl)[(1R,2S,3R,3aR)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@H]1[N+](=O)[O-])C=Cc1c2cccc1

STK544304
Synonyms: N-(4-chlorophenyl)-2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK544305
Synonyms: 7,8-dimethoxy-3-{[(E)-(4-methoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK544307
Synonyms: 11-(5-bromofuran-2-yl)-N-(4-ethoxyphenyl)-10-methyl-8-phenyl-7a,8,10a,11-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=NC1N(N=C(C1C2c1ccc(o1)Br)C)c1ccccc1

STK544309
Synonyms: (9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)OC)/CCC2

STK544310
Synonyms: 3-[4-(decyloxy)phenyl]-1-hydroxyquinoxalin-2(1H)-one4-oxide
Smiles: CCCCCCCCCCOc1ccc(cc1)c1c(=O)n(O)c2c([n+]1[O-])cccc2

STK544311
Synonyms: 6-iodo-3-(2-methylphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK544312
Synonyms: 4-(2-methoxyphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1n1c(=S)[nH]nc1c1cccs1

STK544313
Synonyms: 4-(4-chlorophenyl)-N,1-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)C)cc3c1ccc(cc1)Cl

STK544315
Synonyms: 8-chloro-4-(3,4-dihydroisoquinolin-2(1H)-yl)-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCc2c(C1)cccc2

STK544317
Synonyms: dibutyl[(phenylamino)(3,4,5-trimethoxyphenyl)methyl]phosphonate
Smiles: CCCCOP(=O)(C(c1cc(OC)c(c(c1)OC)OC)Nc1ccccc1)OCCCC

STK544318
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK544319
Synonyms: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(s1)cccc2

STK544320
Synonyms: 3-(acetylamino)-5-phenylthiophen-2-ylthiocyanate
Smiles: N#CSc1sc(cc1NC(=O)C)c1ccccc1

STK544321
Synonyms: 9'-bromo-1-propyl-2'-(thiophen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1cccs1)Br

STK544322
Synonyms: 3-benzyl-2-[(Z)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/1\C(=O)Nc2c1cc(Br)cc2)Cc1ccccc1

STK544324
Synonyms: 2-{2-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK544326
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]butanedioicacid
Smiles: COc1ccc(cc1)CSC(C(=O)O)CC(=O)O

STK544328
Synonyms: (4Z)-5-(4-chlorophenyl)-1-hexadecyl-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)Cl

STK544330
Synonyms: N-(3,5-dichlorophenyl)-11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cc(ccc1OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(Cl)cc(c1)Cl)nc1c2cccc1

STK544331
Synonyms: ethyl5-fluoro-3-{[3-(morpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCOCC1)cc(cc2)F

STK544333
Synonyms: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)/C1=O

STK544335
Synonyms: 3-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)CCc1ccc(cc1)F

STK544337
Synonyms: 2,5-dichloro-N-{3-[(2,4-dichlorophenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: Clc1ccc(c(c1)Cl)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544338
Synonyms: 1-(4-methylphenyl)-2-(4-nitrophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Cc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK544339
Synonyms: 4-[(E)-hydroxy{1-[2-(morpholin-4-yl)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methyl]-N,N-dimethylbenzenesulfonamide
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccncc1)CCN1CCOCC1)/c1ccc(cc1)S(=O)(=O)N(C)C

STK544341
Synonyms: 5-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK544342
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCCN1CCOCC1)/O

STK544343
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(naphthalen-1-yl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1cccc2c1cccc2

STK544344
Synonyms: N,N-dibutyl-2-[(4-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: CCCCN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3)CCCC

STK544345
Synonyms: 6-amino-4-(2-chloro-6-fluorophenyl)-1-methyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1nn(c2c1C(C(=C(O2)N)C#N)c1c(F)cccc1Cl)C

STK544346
Synonyms: 2-benzyl-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccccc2)c(n2c1nc1c2cccc1)O

STK544348
Synonyms: (4-bromophenyl)[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Brc1ccc(cc1)C(=O)N1N=C(CC1c1ccco1)c1ccccc1

STK544349
Synonyms: N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)pyridine-3-carboxamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccnc1

STK544350
Synonyms: 10-bromo-3,11b-dihydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Smiles: Brc1ccc2c(c1)C1C(=CSc3c1sc(=O)[nH]3)CO2

STK544351
Synonyms: 4-{(1Z)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]ethyl}aniline
Smiles: Nc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK544352
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544353
Synonyms: 11-(4-chlorophenyl)-N-(3-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)Cl)C)c1ccccc1

STK544354
Synonyms: 11-(4-ethoxyphenyl)-N-(3-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)F)nc1c2cccc1

STK544355
Synonyms: N-(furan-2-ylmethyl)-2-{[5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccco1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK544356
Synonyms: N-(1,3-benzodioxol-5-yl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc3c(c2)OCO3)nc2c1cccc2)c1ccccc1

STK544359
Synonyms: 2,4-dichloro-N-{2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(C)c(cc2)Cl

STK544361
Synonyms: (4E)-5-(4-ethoxyphenyl)-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1

STK544362
Synonyms: 4-(2-phenylethyl)-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK544363
Synonyms: (3aS,6aS)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK544364
Synonyms: 4-chloro-N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1cc(nn1c1ccccc1)C

STK544366
Synonyms: methyl(1S,2S,3S)-2-(4-bromophenyl)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

STK544367
Synonyms: ethyl5-methoxy-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cc(cc2)OC

STK544368
Synonyms: 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)CCc1ccccc1)SCC(=O)c1ccccc1)C

STK544370
Synonyms: 3-{[(E)-(2-hydroxy-3,5-diiodophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Ic1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)I)O

STK544371
Synonyms: 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole
Smiles: COc1ccc(cc1[N+](=O)[O-])Cn1cc(nc1C)[N+](=O)[O-]

STK544372
Synonyms: (1Z)-1-(3,4-dimethoxyphenyl)-N-[(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]ethanimine
Smiles: COc1cc(ccc1OC)/C(=N\OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)/C

STK544373
Synonyms: 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C(=O)N1C1CCCCC1

STK544374
Synonyms: 4-chloro-N-{3-[(4-methylphenyl)sulfonyl]-1-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)C(c1ccccc1)C

STK544376
Synonyms: N-(2-chlorophenyl)-12-propyl-9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
Smiles: CCCC1C2c3ccccc3C(C1C(=O)Nc1ccccc1Cl)c1c2cccc1

STK544378
Synonyms: (2Z)-2-[5-(4-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)C)/C(=O)N1CCC(CC1)C

STK544379
Synonyms: 4-chloro-N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)Cl

STK544380
Synonyms: (1E)-1-(diphenylphosphoryl)-1-(2-phenylhydrazinylidene)propan-2-one
Smiles: CC(=O)/C(=N\Nc1ccccc1)/P(=O)(c1ccccc1)c1ccccc1

STK544381
Synonyms: N-benzyl-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: C1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3NCc1ccccc1

STK544382
Synonyms: 9-phenyl-2-[3-(trifluoromethyl)phenyl]tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C(c1ccccc1)N1N2CCC1

STK544383
Synonyms: 5-(3-nitrophenyl)-N,3-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: S=C(N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1)Nc1ccccc1

STK544384
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(4-butoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)Br)c1ccccc1

STK544385
Synonyms: 3-(3-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK544386
Synonyms: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)CSc1nc2c(s1)cccc2

STK544387
Synonyms: N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: COc1cc(ccc1OC)/C(=N\NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)/C

STK544388
Synonyms: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
Smiles: CCCC1C(NC(C(C1(C)O)C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK544389
Synonyms: 2-(butylsulfanyl)-6-iodo-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK544390
Synonyms: [5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccc(cc1)C

STK544391
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544392
Synonyms: (4Z)-5-(2-fluorophenyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/C=C/c1ccccc1

STK544394
Synonyms: 6-iodo-3-phenyl-2-(propylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1c1ccccc1)I

STK544395
Synonyms: ethyl5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)F)cc2

STK544396
Synonyms: 6-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: Fc1cccc(c1/C=N/Nc1ccc2n(n1)cnn2)Cl

STK544397
Synonyms: 5-[4-(3-chlorophenyl)-5-phenyl-1H-imidazol-2-yl]-2-methoxyphenol
Smiles: COc1ccc(cc1O)c1nc(c([nH]1)c1ccccc1)c1cccc(c1)Cl

STK544399
Synonyms: N-{2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(C)c(cc2)Cl

STK544401
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccc(o1)C

STK544402
Synonyms: (4E)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)C

STK544403
Synonyms: 2-(ethylsulfanyl)-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK544404
Synonyms: 3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK544405
Synonyms: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)N(c1ccccc1)C

STK544406
Synonyms: 6-{(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: C/C(=N\Nc1ccc2n(n1)cnn2)/c1ccco1

STK544407
Synonyms: N-methyl-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCC(=O)N(c1ccccc1)C)C

STK544409
Synonyms: [5-(4-chlorophenyl)furan-2-yl][4-(4-methylphenyl)piperazin-1-yl]methanethione
Smiles: Cc1ccc(cc1)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)Cl

STK544410
Synonyms: ethyl7-(3-chlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1cccc(c1)Cl

STK544411
Synonyms: [5-(2-chloro-7-methoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1)Cl

STK544412
Synonyms: N-(4-{[10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK544413
Synonyms: 4-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O

STK544414
Synonyms: (2E)-3-(4-fluorophenyl)-N-[(2-methylquinolin-8-yl)carbamothioyl]prop-2-enamide
Smiles: O=C(NC(=S)Nc1cccc2c1nc(C)cc2)/C=C/c1ccc(cc1)F

STK544415
Synonyms: 3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccco1)C

STK544416
Synonyms: 1-methyl-2'-[4-(propan-2-yl)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)C(C)C

STK544417
Synonyms: 9-(4-bromophenyl)-2-(naphthalen-1-yl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc2c1cccc2

STK544419
Synonyms: 9'-bromo-2'-(2-chlorophenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccccc1Cl

STK544420
Synonyms: 1-(pentylsulfanyl)-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK544423
Synonyms: 11-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1OC)nc1c2cccc1

STK544424
Synonyms: (2E)-3-(quinoxalin-6-yl)-1-(thiophen-2-yl)prop-2-en-1-one
Smiles: O=C(c1cccs1)/C=C/c1ccc2c(c1)nccn2

STK544425
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(2E)-5-methylhexan-2-ylidene]acetohydrazide
Smiles: CC(CC/C(=N/NC(=O)CSc1nc2c(s1)cccc2)/C)C

STK544426
Synonyms: 2-amino-1-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Clc1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cccc(c1)F

STK544427
Synonyms: (4Z)-5-(4-fluorophenyl)-4-(1-hydroxyethylidene)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK544430
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK544431
Synonyms: 2-cyano-N-cyclohexyl-2-[3-(dibutylamino)quinoxalin-2-yl]acetamide
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)NC1CCCCC1)C#N)CCCC

STK544432
Synonyms: 7-(2-chlorobenzyl)-3-methyl-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)[nH]c(=O)n2C

STK544433
Synonyms: 2-[(3-hydroxypropyl)amino]-7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)C

STK544434
Synonyms: 2'-(2,4-dichlorophenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK544435
Synonyms: (8S,8aR,11aS,11bS)-10-(3,5-dichlorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=Cc2c1cccc2

STK544436
Synonyms: 11-(3-bromophenyl)-10-methyl-8-phenyl-N-[3-(trifluoromethyl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C(F)(F)F)nc1c2cccc1

STK544437
Synonyms: 2-amino-4-[3-methoxy-4-(pentyloxy)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCCCCOc1ccc(cc1OC)C1C2CCCC=C2C(=C(C1(C#N)C#N)N)C#N

STK544438
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(cc2)C(F)(F)F)nnc1c1ccc(c(c1)OC)OC

STK544439
Synonyms: (4E)-5-(2-fluorophenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1F

STK544440
Synonyms: 8-(4-methoxyphenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Smiles: COc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C(=O)N(C2=O)c1ccccc1

STK544442
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(o1)C)C(C(=C2C#N)N)(C#N)C#N

STK544443
Synonyms: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-[4-(2-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/c1cc(Br)ccc1F

STK544444
Synonyms: 2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis{N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide}
Smiles: O=C(CSc1nnc(s1)SCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O

STK544445
Synonyms: 6-iodo-3-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)quinazolin-4(3H)-one
Smiles: C=CCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK544446
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(3-chlorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544447
Synonyms: 2-(benzylsulfanyl)-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1ccccc1n1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK544449
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544450
Synonyms: N-(4-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544451
Synonyms: 2'-(2,4-dichlorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1Cl)Cl

STK544452
Synonyms: 4-nitro-N-[1-(2-phenylethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK544453
Synonyms: ethyl6-bromo-5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}-1-phenyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSc1ccc(cc1)C)c1ccccc1)Br

STK544454
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/C(=C/c1ccccc1)/C

STK544457
Synonyms: 2-(butylamino)-3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

STK544459
Synonyms: 2-amino-1-hexyl-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK544460
Synonyms: (6aR,6bS,9aR,10S)-8-(4-bromophenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1

STK544461
Synonyms: (2Z)-2-[5-(2-chlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(naphthalen-1-yl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccccc1Cl)/C(=O)Nc1cccc2c1cccc2

STK544462
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2,4-dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1Cl)Cl

STK544463
Synonyms: ethyl4-[(3Z)-2-(4-chlorophenyl)-3-(1-hydroxyethylidene)-4,5-dioxopyrrolidin-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)Cl)/C(=C(/O)\C)/C(=O)C1=O

STK544464
Synonyms: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cccc(c1OC)OC)(C#N)C#N

STK544466
Synonyms: (3aS,6aS)-5-(4-butoxyphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544467
Synonyms: 2-[(E)-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoicacid
Smiles: OC(=O)c1cc(ccc1/N=N/c1c(C)n[nH]c1C)[N+](=O)[O-]

STK544468
Synonyms: (4E)-5-(2-fluorophenyl)-1-(4-fluorophenyl)-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)N1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1F

STK544469
Synonyms: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
Smiles: OCCN1CCN(CC1)CCC(=O)N1N=C(CC1c1ccc(cc1)OC)c1ccc(cc1)Br

STK544470
Synonyms: methyl2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
Smiles: CCN1CCN(CC1)c1ccc(cc1C(=O)OC)[N+](=O)[O-]

STK544471
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-10-[(4-bromophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

STK544473
Synonyms: N-(3-methylphenyl)-2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544474
Synonyms: 11-(4-fluorobenzyl)-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Fc1ccc(cc1)Cn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK544475
Synonyms: 2,5-dichloro-N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544476
Synonyms: 7-[(4-methoxybenzyl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544479
Synonyms: 6-{(2E)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Cc1nn(c(c1/C=N/Nc1ccc2n(n1)cnn2)C)c1ccccc1

STK544480
Synonyms: N,N-bis(2-chloroethyl)-4-{(E)-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl}aniline
Smiles: ClCCN(c1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2)CCCl

STK544482
Synonyms: 2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C

STK544484
Synonyms: (2Z)-2-{5-[2-chloro-5-(trifluoromethyl)benzyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene}-2-cyano-N-(3,4-dichlorophenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cc(ccc1Cl)C(F)(F)F)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK544485
Synonyms: 3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCOCC

STK544486
Synonyms: N-(3,5-dichlorophenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK544487
Synonyms: 2'-(2,4-dichlorophenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK544488
Synonyms: ethyl5-chloro-3-{[(4-fluorophenyl)carbamothioyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)Nc1ccc(cc1)F)cc(cc2)Cl

STK544489
Synonyms: 9-(4-bromophenyl)-2-(3-chlorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)Cl

STK544490
Synonyms: ethyl{[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1c([nH]c2c1cccc2)c1ccc(cc1)Cl

STK544491
Synonyms: 2,9-bis(4-bromophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(cc1)Br

STK544492
Synonyms: 6-iodo-3-(4-methylphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK544493
Synonyms: N,N-diethyl-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoacetamide
Smiles: CCN(C(=O)C(=O)c1c(C)n(c2c1cc(OC)cc2)C)CC

STK544494
Synonyms: (2E)-2-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1c(O)c(Br)cc2c1c1CCCCc1o2

STK544495
Synonyms: 2,2'-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis[N-(4-methylphenyl)acetamide]
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccc(cc2)C)nn1)CCCC3

STK544496
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544497
Synonyms: (6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1

STK544499
Synonyms: N-{2-[2-(3,4-dichlorophenyl)hydrazinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(c(c1)Cl)Cl)Cc1ccccc1

STK544500
Synonyms: 9-methyl-2-(4-methylpiperazin-1-yl)-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C)/C1=O

STK544501
Synonyms: 2,8-dimethyl-3-{[(E)-quinolin-2-ylmethylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc2c(n1)cccc2

STK544503
Synonyms: 2-(3-chloro-4-methylphenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C(c1ccccc1)N1N2CCC1

STK544504
Synonyms: 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Smiles: OCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2

STK544505
Synonyms: (4E)-5-(4-chlorophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1cccnc1)/O

STK544506
Synonyms: 7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK544507
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: Cc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544508
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK544510
Synonyms: 3-(4-methoxyphenyl)-2-(2-nitrophenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2ccccc2nc1c1ccccc1[N+](=O)[O-]

STK544512
Synonyms: N-{3-[(2-methylphenyl)amino]quinoxalin-2-yl}-4-nitrobenzenesulfonamide
Smiles: Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK544513
Synonyms: benzyl(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)C)(C#N)C#N

STK544514
Synonyms: 4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ncccc1C)O

STK544515
Synonyms: N-(4-acetylphenyl)-1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccc(cc1)C(=O)C

STK544517
Synonyms: ethyl2-{[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)Cc2ccccc2)sc(c1C)C

STK544518
Synonyms: 8-benzyl-1-[(4-methoxybenzyl)sulfanyl]-4-(3-methylphenyl)-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: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK544519
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCN1CCOCC1)/O

STK544520
Synonyms: 4-chloro-N-{2-[(furan-2-ylmethyl)amino]cyclohexyl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1NCc1ccco1

STK544521
Synonyms: 2-(3-nitrobenzyl)-3-(4-nitrophenyl)quinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)n1c(Cc2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK544522
Synonyms: 3-benzyl-5-ethyl-5-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCC(=C)C)Cc1ccccc1

STK544523
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544525
Synonyms: 2-(3-bromo-4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1Br)c1nc(c([nH]1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544526
Synonyms: N-(4-ethoxyphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK544527
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)Cc1cccnc1)/O

STK544528
Synonyms: (2E)-1-(4-bromophenyl)-3-(5-methoxy-1-methyl-1H-indol-3-yl)prop-2-en-1-one
Smiles: COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(cc1)Br)cn2C

STK544530
Synonyms: 3-(4-benzylpiperidin-1-yl)-1-[5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Smiles: O=C(N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1)CCN1CCC(CC1)Cc1ccccc1

STK544531
Synonyms: N-benzyl-2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544532
Synonyms: (2-chlorophenyl)[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Clc1ccccc1C(=O)N1N=C(CC1c1ccco1)c1ccccc1

STK544534
Synonyms: 2-amino-1-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK544535
Synonyms: 2-[4-(4-methylbenzyl)piperazin-1-yl]-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544536
Synonyms: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)N1CCc2c1cccc2)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK544538
Synonyms: N,N-diethyl-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)CC

STK544539
Synonyms: (6aR,6bS,9aR,10S)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1

STK544540
Synonyms: 6-[(3Z)-3-(1-hydroxyethylidene)-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/O)\C)/C(=O)C1=O

STK544541
Synonyms: 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O

STK544542
Synonyms: ethyl5-methoxy-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)CC)cc(cc2)OC

STK544544
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1c(F)cccc1Cl

STK544545
Synonyms: 1-(3,4-dichlorophenyl)-N-(2-methoxyethyl)-2-{[(4-methylphenyl)sulfonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCNC(=O)c1c(NS(=O)(=O)c2ccc(cc2)C)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK544547
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCN(C)C)/O

STK544549
Synonyms: N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544551
Synonyms: 11-(3-bromophenyl)-N-(4-butylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C

STK544552
Synonyms: (2'S,3S,3'S)-N-(4-chlorophenyl)-2'-[(4-methoxyphenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinoline]-3'-carboxamide
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)Cl)N2C([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK544554
Synonyms: 11-(3-bromophenyl)-N-(4-methoxyphenyl)-10-methyl-8-(2-methylphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1C)C

STK544555
Synonyms: N-{2-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(piperidin-1-ylcarbonyl)benzamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1C(=O)N1CCCCC1

STK544556
Synonyms: 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK544557
Synonyms: 1-ethyl-6-fluoro-7-[4-(naphthalen-1-ylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cccc3c1cccc3)c(c2)F

STK544560
Synonyms: 11-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1C)C)c1ccccc1

STK544561
Synonyms: 2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)N(c1ccccc1)C)C

STK544562
Synonyms: ethyl6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1ccccc1

STK544563
Synonyms: (4E)-5-(3-fluorophenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1cccc(c1)F

STK544564
Synonyms: methyl5-bromo-3-{[(2-methoxyphenyl)carbamoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)Br

STK544565
Synonyms: N-(4-butylphenyl)-10-methyl-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK544568
Synonyms: ethyl2-{[(4-fluorophenyl)sulfonyl]amino}-1-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)C(=O)OCC

STK544569
Synonyms: 5-(4-fluorophenyl)-4-[4-(4-methoxybenzyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
Smiles: COc1ccc(cc1)CN1CCN(CC1)c1ncnc2c1c(cs2)c1ccc(cc1)F

STK544570
Synonyms: N-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}-4-chlorobenzamide
Smiles: Clc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK544571
Synonyms: methyl5-(3-bromophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1)Br)C

STK544572
Synonyms: 1-[(4-methoxybenzyl)sulfanyl]-4-(2-phenylethyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544574
Synonyms: (8S,8aR)-2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

STK544575
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1Cl

STK544576
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(naphthalen-1-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK544577
Synonyms: 1-[5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(pyrrolidin-1-yl)propan-1-one
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCCC1

STK544578
Synonyms: ethyl2-amino-1-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1OC)OC

STK544579
Synonyms: 2-{[3-(azepan-1-yl)quinoxalin-2-yl]amino}-4,5-dimethylthiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCCCCC2)sc(c1C)C

STK544580
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544582
Synonyms: N-{3-[(4-bromophenyl)amino]quinoxalin-2-yl}-2,5-dichlorobenzenesulfonamide
Smiles: Brc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544583
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(4-acetylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)C)C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544585
Synonyms: 3-(heptylsulfanyl)-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK544586
Synonyms: ethyl(2E)-(diphenylphosphoryl)[2-(4-nitrophenyl)hydrazinylidene]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/P(=O)(c1ccccc1)c1ccccc1

STK544587
Synonyms: ethyl2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]propanoate
Smiles: CCOC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC)C

STK544588
Synonyms: N-(2-methoxyphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK544589
Synonyms: 2-[(3-bromobenzyl)sulfanyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: Brc1cccc(c1)CSc1nc2ccccc2c(=O)n1c1cccc(c1)C

STK544590
Synonyms: 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccc(cc2Cl)Cl)nc2c(c1=O)cccc2

STK544591
Synonyms: N-(3-methoxyphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK544592
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK544593
Synonyms: (8S,8aR,11aS,11bS)-10-(3-chlorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=Cc2c1cccc2

STK544594
Synonyms: N-(2-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544595
Synonyms: ethyl2-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2Cl)/C#N)sc2c1CCCC2

STK544596
Synonyms: 3,4-dimethoxy-N-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonothioyl}benzamide
Smiles: COc1cc(ccc1OC)C(=O)NC(=S)N1CCN(CC1)c1ccccc1OC

STK544597
Synonyms: 1-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C)C(=O)CN1CCCCC1

STK544598
Synonyms: N-benzyl-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncnc3NCc1ccccc1

STK544599
Synonyms: 3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)C)/C1=O

STK544600
Synonyms: N-(3,4-dimethoxyphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2OC)c(nn1c1ccccc1)C

STK544603
Synonyms: 2-{[7-benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK544604
Synonyms: 2-(furan-2-yl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccco1

STK544605
Synonyms: 9-(4-bromophenyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: Brc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544606
Synonyms: N-[(1-heptyl-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide
Smiles: CCCCCCCn1c(CNC(=O)c2cccs2)nc2c1cccc2

STK544607
Synonyms: (2E)-4-{[2-(2-chlorophenyl)ethyl][1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)/C=C/C(=O)O)CCc1ccccc1Cl

STK544609
Synonyms: diethyl3-methyl-5-[(4-methylphenyl)amino]biphenyl-2,6-dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccc(cc2)C)cc(c(c1c1ccccc1)C(=O)OCC)C

STK544610
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-iodo-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc(cc2)I

STK544611
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544612
Synonyms: N-(2-benzyl-4-oxoquinazolin-3(4H)-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)Nn1c(Cc2ccccc2)nc2c(c1=O)cccc2)O)C

STK544615
Synonyms: ethyl4-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK544616
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br

STK544617
Synonyms: N-(3-methoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK544618
Synonyms: 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)N1CCN(CC1)CCn1c(C)ccc1C

STK544619
Synonyms: N'-{(E)-[3-(benzyloxy)phenyl]methylidene}-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1cccc(c1)OCc1ccccc1

STK544620
Synonyms: [5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccc(cc1)Br)C(=O)c1cc(OC)c(c(c1)OC)OC

STK544621
Synonyms: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2OC)/C1=O

STK544623
Synonyms: 2-(2,4-dichlorophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
Smiles: Clc1ccc(c(c1)Cl)C1N2CC3(CN1CC(C2)(C3O)C(C)C)C(C)C

STK544624
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544625
Synonyms: 8-(2-ethoxyphenyl)-9-(prop-2-en-1-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1ccccc1OCC)CCc1c3cccc1

STK544627
Synonyms: N-(3-methoxyphenyl)-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK544628
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK544629
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]

STK544630
Synonyms: 7-[(2-bromoprop-2-en-1-yl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: BrC(=C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544631
Synonyms: 2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-phenylpropanamide
Smiles: CC(C(=O)Nc1ccccc1)Sc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544632
Synonyms: N-(2,4-dichlorophenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK544633
Synonyms: 2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCC1=CCCCC1

STK544635
Synonyms: 8-(propan-2-ylsulfanyl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC(C)C

STK544636
Synonyms: N-(4-{[11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK544637
Synonyms: 1-benzyl-3-(biphenyl-4-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Smiles: COc1ccc(cc1)C1CC(=NN1Cc1ccccc1)c1ccc(cc1)c1ccccc1

STK544638
Synonyms: (2E)-1-(4-bromophenyl)-3-(2-chloro-8-methylquinolin-3-yl)prop-2-en-1-one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1cc2cccc(c2nc1Cl)C

STK544639
Synonyms: N-(3,5-dimethylphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(C)cc(c1)C)c1ccccc1

STK544640
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(4-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])cccc3

STK544642
Synonyms: N-(4-bromophenyl)-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK544643
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CN1CCc2c(C1)sc1c2c(N)nc(n1)SCc1ccc(c(c1)Cl)Cl

STK544644
Synonyms: 2-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

STK544645
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C)C

STK544646
Synonyms: 4-[5-(2-chloroquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)CCC(=O)O

STK544647
Synonyms: N-(3-methoxyphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544648
Synonyms: N-(4-butoxyphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK544649
Synonyms: 8-ethyl-2-[(4-methoxybenzyl)sulfanyl]-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCc1ccc(cc1)OC)c1ccc(cc1)C

STK544652
Synonyms: 2-(benzylsulfanyl)-3-ethyl-6-iodoquinazolin-4(3H)-one
Smiles: CCn1c(SCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544653
Synonyms: N-(4-bromophenyl)-2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK544655
Synonyms: 11-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1C)C)c1ccccc1

STK544657
Synonyms: 3-cyclohexyl-11-phenyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2c1ccccc1)C1CCCCC1

STK544658
Synonyms: 4-chloro-6-(morpholin-4-yl)-N-octyl-1,3,5-triazin-2-amine
Smiles: CCCCCCCCNc1nc(Cl)nc(n1)N1CCOCC1

STK544659
Synonyms: 2-[(2,4-dichlorophenoxy)methyl]-1-[2-(naphthalen-2-yloxy)ethyl]-1H-benzimidazole
Smiles: Clc1ccc(c(c1)Cl)OCc1nc2c(n1CCOc1ccc3c(c1)cccc3)cccc2

STK544660
Synonyms: 6-(4-ethoxyphenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)C2C(C1=O)Sc1c(C2c2cccc(c2)[N+](=O)[O-])sc(=O)[nH]1

STK544661
Synonyms: 3,4-dimethyl-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
Smiles: Cc1ccc(cc1C)S(=O)(=O)NCCN1CCOCC1

STK544662
Synonyms: 2-amino-1-(4-butoxyphenyl)-N-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccc(cc1)F

STK544663
Synonyms: 1-[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCCCC1

STK544664
Synonyms: 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-{2-[(naphthalen-1-ylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1C)CCCC3

STK544665
Synonyms: (6aR,6bS,9aR,10S)-8-(3-chlorophenyl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C=Cc1c2cccc1

STK544668
Synonyms: 4-chloro-N-[2-(diethylamino)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
Smiles: CCN(C1C(NS(=O)(=O)c2ccc(cc2)Cl)c2c3c1cccc3ccc2)CC

STK544669
Synonyms: 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(prop-2-en-1-yl)acetamide
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)NCC=C)C#N)CCCC

STK544670
Synonyms: N,N-diphenyl-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK544671
Synonyms: 4-(4-butoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

STK544672
Synonyms: 3,7-bis[(4-methoxybenzyl)sulfanyl]-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc(cc2)OC)nn1)CCC3

STK544673
Synonyms: N-(4-{[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}phenyl)acetamide
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)NC(=O)C)c1ccccc1

STK544674
Synonyms: dimethyl5-{[(3-methoxynaphthalen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(c1C)C(=O)OC

STK544675
Synonyms: 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O)C

STK544676
Synonyms: N-(3,5-dichlorophenyl)-10-methyl-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK544677
Synonyms: (8S,8aR)-6-amino-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCNC2)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N

STK544678
Synonyms: 3-methyl-2-(3-methylbutyl)-1-[4-(6-methylpyridin-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)N1CCN(CC1)c1cccc(n1)C

STK544680
Synonyms: 10-phenyl-3-(prop-2-en-1-ylsulfanyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: C=CCSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK544682
Synonyms: (8R,8aR)-2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)C)c1cc(OC)ccc1OC)(C#N)C#N

STK544684
Synonyms: 9-(4-bromophenyl)-2-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK544685
Synonyms: 2-(benzylsulfanyl)-3,6,6-trimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cn1c(SCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK544687
Synonyms: 11-(4-bromophenyl)-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Brc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK544688
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-nitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK544689
Synonyms: 3-(2,5-dibromophenyl)-2-(4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)n1c(nc2c(c1=O)cccc2)c1ccc(cc1)[N+](=O)[O-])Br

STK544690
Synonyms: (1'R,2'S,3R)-N-(4-chlorophenyl)-2'-[(4-chlorophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1

STK544692
Synonyms: 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK544694
Synonyms: 4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
Smiles: CCCCCCC1(O)C(C)C(NC(C1CCC)c1ccccc1)c1ccccc1