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STK581825
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(o2)C)nnc1c1cccnc1

STK581829
Synonyms: 2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1)oc(=O)c1c2CCCC1

STK581830
Synonyms: 5-[(4-bromobenzyl)oxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Brc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]ncc1c1ccccc1

STK581832
Synonyms: 6-nitro-2-oxo-1-(5-oxohexyl)-1,2,3,4-tetrahydroquinoline-3-carboxylicacid
Smiles: CC(=O)CCCCN1C(=O)C(Cc2c1ccc(c2)[N+](=O)[O-])C(=O)O

STK581836
Synonyms: 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindol-1-one
Smiles: O=C(N1CCN(CC1)c1ccccc1F)CC1NC(=O)c2c1cccc2

STK581840
Synonyms: (3R,3'S,5'R)-5'-(2-amino-2-oxoethyl)-7-chloro-N-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1Cl)CC(=O)N

STK581844
Synonyms: 5-{[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-5-oxopentanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1ccccc1c2

STK581848
Synonyms: ethyl4-({7-[(3,4-dichlorobenzyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(c(c1)Cl)Cl

STK581853
Synonyms: 7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK581855
Synonyms: 2-(3,4-dichlorophenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(c(c1)Cl)Cl

STK581860
Synonyms: 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCN1CCOCC1)C

STK581863
Synonyms: 4-(4-bromophenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Br)c([nH]n2)c1cc(Cl)c(cc1O)C

STK581867
Synonyms: 5-(2-hydroxyphenyl)-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2

STK581868
Synonyms: N-[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]-L-phenylalanine
Smiles: OC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)F)Cc1ccccc1

STK581869
Synonyms: (5Z)-3-methyl-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C)c1ccccc1)C

STK581874
Synonyms: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C

STK849677
Synonyms: 1-benzyl-N-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK581880
Synonyms: 3-methoxy-N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1cccc(c1)OC)Cc1cc2cccc(c2[nH]c1=O)C

STK849682
Synonyms: 7-chloro-1-(3,4-dimethoxyphenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK581884
Synonyms: N-(3-hydroxypropyl)-2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1

STK581887
Synonyms: 12-(furan-2-yl)-2-methyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c2nc(nn2cn1)C

STK581888
Synonyms: 4-[(3-{(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]-2-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\C=C\c2ccco2)/C1=O

STK581890
Synonyms: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4-sulfamoylbenzyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NCc1ccc(cc1)S(=O)(=O)N

STK581891
Synonyms: 5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccc3c(c2)n(C)c(=O)n3C)ccc1[NH+]1CCOCC1

STK581897
Synonyms: 2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-N-phenylacetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3ccccc3)nnc2c2c1CC(C)(C)OC2

STK581898
Synonyms: 8-amino-N-(5-methyl-1,2-oxazol-3-yl)-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
Smiles: Cc1onc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)C2CCN1CC2

STK581900
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(O)nc(=O)n2C)C

STK849686
Synonyms: ethyl7-hydroxy-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1cccnc1

STK581904
Synonyms: (2Z)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(2,5-dimethoxybenzylidene)-1-benzofuran-3(2H)-one
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)c1ccc(cc1)Cl)OC

STK581908
Synonyms: 2-({[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]methyl}sulfanyl)ethanol
Smiles: OCCSCc1nnc2n1nc(c1ccc(cc1)OC)c1c2cccc1

STK581909
Synonyms: 2-[(3,4-dimethoxybenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1OC)CNc1nc2n(n1)c(O)c(c(n2)C)C

STK581911
Synonyms: N-(furan-2-ylmethyl)-6-methoxy-N-(4-methoxybenzyl)-1H-indole-2-carboxamide
Smiles: COc1ccc(cc1)CN(C(=O)c1cc2c([nH]1)cc(cc2)OC)Cc1ccco1

STK581917
Synonyms: N-[(2Z)-3-(3-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-cyclopentylpropanamide
Smiles: O=C(/N=C/1\SC2C(N1c1cccc(c1)C(=O)C)CS(=O)(=O)C2)CCC1CCCC1

STK581922
Synonyms: 2-(phenoxymethyl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)COc1ccccc1

STK581924
Synonyms: 2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1ccncc1)C

STK581926
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(6-methoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCc2c(C1)cccc2

STK581932
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(butan-2-yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1cc([nH]n1)c1ccc(cc1)F)C

STK581934
Synonyms: (4E)-2-(2-chlorophenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/NCCCN2CCOCC2)/c2ccccc2C(=O)N1c1ccccc1Cl

STK581935
Synonyms: (2Z)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C

STK581936
Synonyms: N-(4-chlorophenyl)-7-(furan-2-yl)-2-hydroxy-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)CC(C2)c1ccco1

STK581938
Synonyms: N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]acetamide
Smiles: CC(=O)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK581939
Synonyms: 5-(2-methoxyphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1sccc1C

STK581940
Synonyms: (2S)-2-amino-N'-[(E)-quinolin-6-ylmethylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1ccc2c(c1)cccn2

STK581941
Synonyms: (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)prop-2-enamide
Smiles: Cc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK849689
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-ethylpyrimidine-4,6-diol
Smiles: CCc1c(O)nc(nc1O)N1CCc2c(C1)cccc2

STK581946
Synonyms: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
Smiles: COc1ccccc1c1noc(n1)CCC(=O)NCc1cccnc1

STK581950
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F

STK849691
Synonyms: propan-2-yl{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1)C

STK581954
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CSc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK581956
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)NCCCn1cncc1

STK581960
Synonyms: 4-{(2E)-2-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: COc1ccc2c(c1)c(/C=N/Nc1ccc(cc1)C(=O)O)c(n2C)C

STK849692
Synonyms: 7-chloro-1-(3-fluorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK581969
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-(4-methylbenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2ccc(cc2)C)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK581971
Synonyms: 4-amino-3-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)Nc1sc2c(c1C(=O)NC)CCCC2

STK581975
Synonyms: 2-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2ccccn2)/C1=O)C(=O)O

STK849693
Synonyms: 2-(2-amino-5-phenylpyrimidin-4-yl)-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1c1ccccc1

STK581978
Synonyms: 5-bromo-2-{5-[(Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoicacid
Smiles: OC1=NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2C(=O)O)Br)/C(=N1)O

STK581979
Synonyms: 2-(2-amino-5-phenylpyrimidin-4-yl)-5-[(2-chlorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccccc1Cl)c1ccccc1

STK581983
Synonyms: 8-(5-chloro-2-methoxyphenyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccc(cc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C)Cl

STK581988
Synonyms: N-(2,5-dimethoxyphenyl)-4-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc2c([nH]1)cccc2OC)OC

STK581990
Synonyms: N-[(4-methylbenzyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)C

STK581992
Synonyms: [2-(2-fluorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]aceticacid
Smiles: OC(=O)CC1=C(Nc2ccccc2)C(=O)N(C1c1ccccc1F)c1ccccc1

STK581994
Synonyms: 12-(pyridin-3-yl)-2-(pyridin-4-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1ccncc1

STK581996
Synonyms: 5-tert-butyl-7-(4-methylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK849698
Synonyms: 5-bromo-N-[(2Z)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: Cc1ccc(cc1)c1[nH]/c(=N/C(=O)c2cncc(c2)Br)/sc1C

STK582011
Synonyms: N-{4-[(2-ethylpiperidin-1-yl)sulfonyl]phenyl}-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK582012
Synonyms: 6-(4-bromophenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: Brc1ccc(cc1)N1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)[N+](=O)[O-]

STK582015
Synonyms: (6Z)-6-[2-(3,5-dimethylphenyl)hydrazinylidene]-6-(pyridin-2-yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N/Nc1cc(C)cc(c1)C)/c1ccccn1

STK582017
Synonyms: 6-chloro-N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Fc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)cc(c(c3)Cl)C)cccc2

STK582022
Synonyms: decahydronaphthalen-2-ol
Smiles: OC1CCC2C(C1)CCCC2

STK582024
Synonyms: 3-benzyl-1-[2-(dimethylamino)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CN(CCn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3)C

STK849702
Synonyms: 3-(pyridin-2-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)c1ccccn1

STK582028
Synonyms: ethyl4-(4-hydroxy-1,6,7-trimethyl-2-oxo-1,2-dihydro-8H-imidazo[2,1-f]purin-8-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK849704
Synonyms: 4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzamide
Smiles: NC(=O)c1ccc(cc1)NC1OC(=O)c2c1cccc2

STK582036
Synonyms: 6-chloro-N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK582037
Synonyms: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)c(C)c(o2)C(=O)NCC(c1ccco1)N1CCCC1

STK582038
Synonyms: methylN-[(4-chlorophenyl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)Cl

STK582047
Synonyms: (5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK582051
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK582056
Synonyms: N-[(2,4-dimethoxybenzyl)carbamoyl]-L-valine
Smiles: COc1cc(OC)ccc1CNC(=O)N[C@H](C(=O)O)C(C)C

STK582058
Synonyms: 8-(4-chlorophenyl)-11-(furan-2-yl)-10-methyl-2-(pyridin-4-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccco1)nc(n3)c1ccncc1)C

STK849707
Synonyms: 3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)c(cn2)c1ccccc1

STK582061
Synonyms: (5E)-5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCCCC2)/C1=O)S

STK582062
Synonyms: N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2,2-diphenylacetamide
Smiles: COc1ccc(cc1)c1nc2n(n1)c(cc(n2)O)NC(=O)C(c1ccccc1)c1ccccc1

STK582067
Synonyms: 5-tert-butyl-2-methyl-3-phenyl-N-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2Nc1ccc(cc1)C(C)C)C(C)(C)C

STK849709
Synonyms: 3-benzyl-8-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OC)Cc1ccccc1

STK582068
Synonyms: N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]acetamide
Smiles: CC(=O)NC1(N=C(N(C1=O)Cc1cccnc1)c1ccccc1)C(F)(F)F

STK582069
Synonyms: N-[(2Z)-5-[2-(piperidin-1-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c\1/[nH]nc(s1)CCN1CCCCC1

STK849711
Synonyms: N,4-dimethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STK582071
Synonyms: tert-butyl[(1S)-1-{5-[(2-chlorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-3-methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1Cl)NC(=O)OC(C)(C)C)C

STK582075
Synonyms: 2-(2-{[(4-chlorophenyl)sulfanyl]methyl}-1H-benzimidazol-1-yl)-N-phenyl-N-(propan-2-yl)acetamide
Smiles: Clc1ccc(cc1)SCc1nc2c(n1CC(=O)N(c1ccccc1)C(C)C)cccc2

STK582076
Synonyms: 6,7-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1ccc(cc1)NC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK582077
Synonyms: 4-chloro-N-[(2-hydroxyquinolin-4-yl)methyl]-N-(4-methoxyphenyl)benzamide
Smiles: COc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc(O)nc2c1cccc2

STK582079
Synonyms: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O

STK582083
Synonyms: (4E)-4-{[1-(2-hydroxy-3-{[2-(morpholin-4-yl)ethyl]amino}propyl)-1H-indol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)CNCCN1CCOCC1

STK849713
Synonyms: N-(4-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2Nc1ccc(cc1)NC(=O)C

STK582088
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-methoxybenzylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK582091
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCc1cccnc1)C

STK582094
Synonyms: methylN-[(2-methylpiperidin-1-yl)carbonyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)N1CCCCC1C)CC(C)C

STK582106
Synonyms: 5-{[(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino}-2-hydroxybenzoicacid
Smiles: O=C(CC1SC(=O)NC1=O)Nc1ccc(c(c1)C(=O)O)O

STK582108
Synonyms: 5-hydroxy-2-({[(5E)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccccc1/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc(cc1C(=O)O)O

STK582110
Synonyms: 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc2CN(CCc2cc1OC)c1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK582112
Synonyms: N-cyclohexyl-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NC1CCCCC1

STK582114
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1cc(OC)cc(c1)OC)C

STK849718
Synonyms: 2-{4-[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK582123
Synonyms: N-[(4-benzylpiperidin-1-yl)carbonyl]-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)N1CCC(CC1)Cc1ccccc1)C

STK582127
Synonyms: 10-methyl-11-(4-methylphenyl)-8-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1cccnc1)c1ccccc1

STK582128
Synonyms: 2-[(2,6-dichlorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)NCc1c(Cl)cccc1Cl

STK582130
Synonyms: N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-phenylalanine
Smiles: O=C(Nc1ccccc1C(F)(F)F)N[C@H](C(=O)O)Cc1ccccc1

STK582132
Synonyms: (E)-1-(4-chlorophenyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)methanimine
Smiles: Clc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK582133
Synonyms: ethyl2-methyl-5-propyl-7-(pyridin-3-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(CCC)N=c2n(C1c1cccnc1)nc([nH]2)C

STK582134
Synonyms: {(2E)-4-oxo-2-[(2E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl}aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/2\CSC(=O)N2)/NC1=O

STK582135
Synonyms: methyl4-(7-chloro-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1NC(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK582136
Synonyms: N-(2-cyanophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccccc1C#N

STK849720
Synonyms: 8-(2-hydroxyethyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: OCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C

STK582148
Synonyms: N-(3,5-dimethoxyphenyl)-5-hydroxy-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1cc(cc(c1)OC)NC(=O)C1CC(=O)N=C2C1=C(O)CCC2

STK849725
Synonyms: propyl4-({7-[(dimethylcarbamoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)N(C)C

STK582152
Synonyms: 8-bromo-10-methyl[1,2,4]triazino[4,5-a]indol-1-ol
Smiles: Brc1ccc2c(c1)c(C)c1n2cnnc1O

STK849726
Synonyms: 3-(3-methylphenoxy)-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cccc(c1)C)C(F)(F)F

STK849727
Synonyms: 2-(4-methylphenyl)pyrimido[1,2-a]benzimidazol-4-ol
Smiles: Cc1ccc(cc1)c1cc(O)n2c(n1)nc1c2cccc1

STK849728
Synonyms: 6-chloro-4-(chloromethyl)-5,7-dimethyl-2H-chromen-2-one
Smiles: ClCc1cc(=O)oc2c1c(C)c(c(c2)C)Cl

STK849729
Synonyms: N-{4-[(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}acetamide
Smiles: CCCc1cc(Nc2ccc(cc2)NC(=O)C)n2c(n1)c(cn2)c1ccccc1

STK582158
Synonyms: (3a'S,6a'R)-5'-tert-butyl-3'-(4-hydroxybenzyl)-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1C

STK849730
Synonyms: 4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1ncc(s1)[N+](=O)[O-]

STK849731
Synonyms: ethyl5-[(ethoxycarbonyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(o2)C

STK582167
Synonyms: 3-(4-methoxyphenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1c(C)nn2c1nc(C)c(c2O)C

STK849733
Synonyms: 1-benzyl-N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCCCn1cncc1)Cc1ccccc1

STK582175
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-propylethanethioamide
Smiles: CCCNC(=S)/C=C/1\NCCc2c1cc(OC)c(c2)OC

STK582176
Synonyms: N-[(1-phenylethyl)carbamoyl]leucine
Smiles: CC(c1ccccc1)NC(=O)NC(C(=O)O)CC(C)C

STK582177
Synonyms: N-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=S)NC1CCCCC1

STK582180
Synonyms: (5Z)-2-[(4-bromophenyl)amino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: Brc1ccc(cc1)NC1=NC(=O)/C(=C/C=C/c2ccco2)/S1

STK582181
Synonyms: N-benzyl-5,6-di(furan-2-yl)furo[2,3-d]pyrimidin-4-amine
Smiles: c1ccc(cc1)CNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK582182
Synonyms: 4-methoxy-N-(1-phenylethyl)-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NC(c1ccccc1)C

STK582184
Synonyms: 10-(4-hydroxyphenyl)-7-phenyl-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Smiles: Oc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C1CC2C2C1C(=O)N(C2=O)c1ccccc1

STK849734
Synonyms: ethylN-{[1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl]carbonyl}glycinate
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC(=O)OCC

STK582185
Synonyms: 2,2-dimethyl-5-propyl-N-(pyridin-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccccn1

STK582186
Synonyms: N-(1H-indol-3-ylacetyl)methionine
Smiles: CSCCC(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2

STK582190
Synonyms: 1-[1-(6-methoxy-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl]ethanone
Smiles: COc1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK849735
Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1nc(C)cc(n1)C)C(c1ccccc1)C

STK582201
Synonyms: 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Smiles: COc1ccc(cc1)N1CCN(CC1)c1cc(=O)n2c(n1)SCC2

STK582203
Synonyms: methylN-[(furan-2-ylmethyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccco1)C

STK849737
Synonyms: 2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccccc1)c1cnccn1

STK582206
Synonyms: N-(3-chloro-4-fluorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(c(c1)Cl)F

STK582211
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-fluorobenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2F)n2c(n1)nc(n2)c1ccc(cc1)C(C)(C)C

STK582212
Synonyms: 2-[methyl(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK582218
Synonyms: 2-(4-ethoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1ccc(cc1)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK582219
Synonyms: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-ylpiperidine-1-carbodithioate
Smiles: Brc1ccc(c(c1)C(=O)C(SC(=S)N1CCCCC1)C)O

STK582220
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxybenzyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK849742
Synonyms: 2-methyl-N-[3-(morpholin-4-yl)propyl]-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCCN2CCOCC2)CCC1

STK582222
Synonyms: 4-(2-cyclohexylpropan-2-yl)cycloheptanone
Smiles: O=C1CCCC(CC1)C(C1CCCCC1)(C)C

STK582226
Synonyms: 3-[(2,4-dichlorophenyl)amino]-2-benzofuran-1(3H)-one
Smiles: Clc1ccc(c(c1)Cl)NC1OC(=O)c2c1cccc2

STK582235
Synonyms: methyl(2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)acetate
Smiles: COC(=O)Cc1c(Br)oc2c1cc(Cl)c(c2)C

STK582238
Synonyms: 2-[(E)-{(2E)-[4-(3-nitrophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}methyl]phenol
Smiles: Oc1ccccc1/C=N/N=c\1/scc([nH]1)c1cccc(c1)[N+](=O)[O-]

STK582239
Synonyms: N'-{7-[3-(dimethylamino)propyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(C)c(n2CCCN(C)C)C)C

STK582240
Synonyms: 6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Smiles: FC(C1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F

STK582245
Synonyms: N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)C1CCCCC1

STK582246
Synonyms: N-[(9-oxo-9H-fluoren-4-yl)carbonyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C

STK582247
Synonyms: methylN-[(3-methoxybenzyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCc1cccc(c1)OC

STK582249
Synonyms: 7-fluoro-2-(2-hydroxyethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)F

STK849745
Synonyms: 3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Cc1ccc(cc1)c1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)N

STK582253
Synonyms: 2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c/1\scn[nH]1)CSc1nnc(o1)c1ccoc1C

STK582258
Synonyms: 2-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)C1CCCCC1

STK582260
Synonyms: ethyl[7-hydroxy-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)OC

STK849748
Synonyms: 8-(4-bromophenyl)-3-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)Br

STK582268
Synonyms: 1-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

STK582271
Synonyms: 5-({[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccco2)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK582273
Synonyms: N-[5-hydroxy-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]furan-2-carboxamide
Smiles: Oc1cc(NC(=O)c2ccco2)n2c(n1)nc(n2)COc1ccccc1

STK849750
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc2c(c1)OCO2

STK582278
Synonyms: N-(2-chlorophenyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccccc1Cl

STK582287
Synonyms: (4Z)-N-(2,5-dimethoxyphenyl)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)Nc1cc(OC)ccc1OC

STK582290
Synonyms: (3aR,4R,7S,7aR)-3-[(E)-2-phenylethenyl]-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole
Smiles: c1ccc(cc1)/C=C/C1=NO[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1

STK582292
Synonyms: N-(furan-2-ylmethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)C)Cc1ccco1

STK582293
Synonyms: N-(1H-indol-3-ylacetyl)isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2)C

STK582295
Synonyms: 7-chloro-2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK582299
Synonyms: methylN-[(3,5-dimethylphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cc(C)cc(c1)C

STK582300
Synonyms: 1-(1-{6-[(4-methoxyphenyl)amino]-2-phenylpyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: COc1ccc(cc1)Nc1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK849755
Synonyms: 3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C)CC

STK582302
Synonyms: N-(1H-indol-3-ylacetyl)valine
Smiles: O=C(Cc1c[nH]c2c1cccc2)NC(C(=O)O)C(C)C

STK582305
Synonyms: {(2E)-2-[(2E)-(5-bromo-2-hydroxy-3-methoxybenzylidene)hydrazinylidene]-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl}aceticacid
Smiles: COc1cc(Br)cc(c1O)/C=N/N=C/1\N=C(C(S1)CC(=O)O)O

STK582309
Synonyms: 7-cyclohexyl-N~5~-phenyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: Nc1n[nH]c2c1c1CCN(Cc1c(n2)Nc1ccccc1)C1CCCCC1

STK582310
Synonyms: N-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-beta-alanyl-L-proline
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NCCC(=O)N1CCC[C@H]1C(=O)O

STK582312
Synonyms: 4-(4-tert-butylphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C

STK582315
Synonyms: methylN-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)F

STK582317
Synonyms: 4-(5-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: CCOc1ccc2c(c1)c(c[nH]2)c1csc(n1)N

STK582319
Synonyms: 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylpropanamide
Smiles: CCN(C1CCS(=O)(=O)C1)C(=O)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK582320
Synonyms: N-(1H-indol-3-ylacetyl)leucine
Smiles: CC(CC(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2)C

STK582321
Synonyms: 6,8-dimethyl-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-2H-chromen-2-one
Smiles: Cc1cc(C)c2c(c1)c(CN1CCN(CC1)C/C=C/c1ccccc1)cc(=O)o2

STK582322
Synonyms: 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one
Smiles: COc1ccccc1Cn1c(N)cc(=O)nc1S

STK582323
Synonyms: 2-[7-(furan-2-yl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]ethanol
Smiles: OCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1

STK582325
Synonyms: (5Z)-3-(furan-2-ylmethyl)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccco1)c1ccccc1)C

STK582326
Synonyms: 1,10-phenanthroline-2-carbaldehyde
Smiles: O=Cc1ccc2c(n1)c1ncccc1cc2

STK582328
Synonyms: 9,9-dimethyl-12-(pyridin-3-yl)-2-(thiophen-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1cccs1

STK582329
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
Smiles: OCC(NC(=O)CN1C(=S)S/C(=C\c2ccccc2)/C1=O)Cc1ccccc1

STK582338
Synonyms: 1-(3-chlorophenyl)-7-fluoro-2-(6-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK582350
Synonyms: 2-fluoro-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2F)n2c(n1)nc(n2)c1ccccc1

STK582354
Synonyms: (5Z)-3-(3-methoxypropyl)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

STK582355
Synonyms: 3-(2-methoxyethyl)-2-(4-methoxyphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)OC

STK582358
Synonyms: [(5S)-5-(benzylcarbamoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: COc1ccc(cc1)C1=NO[C@@](C1)(CC(=O)O)C(=O)NCc1ccccc1

STK582360
Synonyms: ethyl4'-hydroxy-8-nitro-2',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Smiles: CCOC(=O)C1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N=C1O

STK582363
Synonyms: 2-(7,7-dimethyl-2-phenyl-4-thioxo-7,8-dihydro-4H-pyrano[4,3-d]pyrimidin-1(5H)-yl)ethylacetate
Smiles: CC(=O)OCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK582366
Synonyms: 2-[(4Z)-4-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-3-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCN1C(=O)c2c(C1=O)cccc2

STK582368
Synonyms: 4-[4-(4-ethoxybenzyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCOc1ccc(cc1)CN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK582370
Synonyms: 6-[butyl(phenyl)amino]-2-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: CCCCN(c1cc(=O)n(c(n1)O)C)c1ccccc1

STK849759
Synonyms: N-{4-[(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK582375
Synonyms: 5-acetyl-1-cyclohexyl-4,6-dihydroxypyrimidin-2(1H)-one
Smiles: CC(=O)c1c(O)nc(=O)n(c1O)C1CCCCC1

STK582377
Synonyms: 2-amino-6-hydroxy-8,8-dimethyl-5-(2-methylphenyl)-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: OC1=C2C(=Nc3c(C2c2ccccc2C)c(=O)[nH]c(n3)N)CC(C1)(C)C

STK849760
Synonyms: (2E)-3-[(2-methoxy-5-methylphenyl)amino]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: COc1ccc(cc1N/C=C(/c1nc2c(n1C)cccc2)\C#N)C

STK849761
Synonyms: ethyl[(2Z)-2-{[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2ccc(cc2Cl)Cl)/[nH]1

STK849762
Synonyms: N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1nc2c([nH]1)cccc2)CCCn1nnc2c(c1=O)cccc2

STK582383
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(2-chlorobenzyl)propanamide
Smiles: O=C(NCc1ccccc1Cl)CCc1nc2c([nH]1)cccc2

STK582384
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK582386
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-fluorophenoxy)acetamide
Smiles: Fc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK849763
Synonyms: 7-chloro-2-methyl-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)C

STK582399
Synonyms: 5-tert-butyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK582402
Synonyms: 8-[(dimethylamino)methyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CN(Cc1[nH]c2c(n1)n(C)c(=O)nc2O)C

STK582403
Synonyms: (3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C12CC3CC(C1)CC(C2)(C3)Cl

STK849765
Synonyms: 1-benzyl-N-(4-ethoxyphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK571932
Synonyms: 5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazole-2(3H)-thione
Smiles: COc1ccc(cc1)Nc1n[nH]c(=S)s1

STK847755
Synonyms: 5-methyl-3-(4-methylphenyl)-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCCC1

STK847850
Synonyms: 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
Smiles: O=C(C(C)C)Nc1onc(c1)c1ccccc1

STK574177
Synonyms: (5E)-3-methyl-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)C

STK574453
Synonyms: 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Smiles: O=C1NCN(C21CCNCC2)c1ccccc1

STK574454
Synonyms: 6-phenyl-2-sulfanylpyrimidin-4-ol
Smiles: Oc1nc(S)nc(c1)c1ccccc1

STK574514
Synonyms: (4Z)-4-{[(3-fluorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1cccc(c1)N/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK575659
Synonyms: 5-(prop-2-en-1-ylamino)-1,3,4-thiadiazole-2(3H)-thione
Smiles: C=CCNc1n[nH]c(=S)s1

STK575777
Synonyms: 5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1cc(O)n2c(n1)ncn2

STK848497
Synonyms: 5,6-dimethyl-3-phenyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1c(C)nc2n(c1N1CCCC1)ncc2c1ccccc1

STK576851
Synonyms: 2-methyl-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)C

STK849040
Synonyms: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
Smiles: Cc1ccc(cc1)c1noc(c1)NC(=O)c1cccs1

STK849329
Synonyms: 2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(C)c2c(n1)nn1c2nc(cc1C)C

STK582407
Synonyms: N-(3-methoxybenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)CNc1cc(C)nc2n1ncn2

STK582408
Synonyms: (2Z)-2-[2-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/1\C(=O)N(c2c1cccc2)C1OC(=O)c2c1cccc2

STK582410
Synonyms: furan-2-yl[2-(4-methoxyphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]methanone
Smiles: COc1ccc(cc1)c1nc2c(s1)CN(CC2)C(=O)c1ccco1

STK582413
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccco1

STK582415
Synonyms: methyl2-amino-5-hydroxy-4-(2-methoxyphenyl)-7-methyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccccc1OC)c(O)nc(c2)C

STK582417
Synonyms: 1-{2-[(2,6-dimethylphenoxy)methyl]-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl}ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)COc1c(C)cccc1C

STK849767
Synonyms: 2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK849768
Synonyms: 1-benzyl-N-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1OC)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK582428
Synonyms: 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-2-carboxamide
Smiles: Brc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc2c(c1)OCCO2

STK582437
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK582439
Synonyms: 8-[(3,4-dichlorophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Clc1cc(ccc1Cl)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK582440
Synonyms: 7-hydroxy-2-methyl-5-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(cc(c1OC)OC)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O

STK849770
Synonyms: 2-methoxyethyl5-{[(4-fluorophenyl)sulfonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OS(=O)(=O)c1ccc(cc1)F

STK582444
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2,4-dichlorophenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1

STK849772
Synonyms: 6-(3-bromo-4-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1ccc(cc1Br)C1NC(=NC(=C1C(=O)N)C)S

STK582449
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexanamide
Smiles: CCCCCC(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK582450
Synonyms: 4-[14-(pyridin-3-yl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]aniline
Smiles: Nc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)c1ccccc1cc2

STK582451
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1C

STK849774
Synonyms: 3-amino-1-phenyl-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
Smiles: NC1=NC(n2c(=N1)nc(O)c1c2cccc1)c1ccccc1

STK582456
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1cccc(c1C)Cl)O

STK582458
Synonyms: 2-(2,7-dimethyl-4H-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine
Smiles: CCN(CCn1c2ccc(cc2c2c1sc(n2)C)C)CC

STK582459
Synonyms: 2,5,6-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(c1c1ccccc1)nc(c(c2O)C)C

STK582461
Synonyms: 6-ethyl-10-methyl-3-propyl-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCCN1COc2c(C1)cc1c(c2C)oc(=O)cc1CC

STK582463
Synonyms: N-[(2-fluorobenzyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCc1ccccc1F)C

STK582464
Synonyms: 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c(o1)ccc(c2)S(=O)(=O)N(C)C

STK582477
Synonyms: 5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK582479
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(\NCCCN2CCOCC2)/C)/C(=O)N1c1ccccc1C

STK582481
Synonyms: 3-(4-methoxyphenyl)-2,5-dimethyl-6-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1c(C)nc2n(c1O)nc(c2c1ccc(cc1)OC)C

STK582485
Synonyms: 3-(piperazin-1-yl)-1-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)C(C)C)N1CCNCC1

STK582486
Synonyms: 2-[4-(7-ethyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)piperazin-1-yl]acetamide
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC(=O)N

STK849776
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-phenoxyacetamide
Smiles: O=C(Nc1nonc1c1ccc(cc1)Cl)COc1ccccc1

STK849777
Synonyms: ethylN-{[1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl]carbonyl}glycinate
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCC(=O)OCC

STK582496
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C1c2ccccc2C2N1[C@H](C(=O)NCc1cccs1)C(S2)(C)C

STK582499
Synonyms: 6-hydroxy-3-methyl-8-[(3-methylbutyl)amino]-7-(propan-2-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCNc1nc2c(n1C(C)C)c(O)nc(=O)n2C)C

STK582500
Synonyms: 3-methyl-6-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one
Smiles: Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCN(CC1)c1ccccn1

STK582501
Synonyms: {(5S)-3-[4-(benzyloxy)phenyl]-5-[(2,6-dimethylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccc(cc1)OCc1ccccc1)C(=O)Nc1c(C)cccc1C

STK582505
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)C)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK582506
Synonyms: 7-chloro-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1NC(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK582507
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(naphthalen-2-yloxy)propyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1)COc1ccc2c(c1)cccc2

STK582509
Synonyms: 2-[7-(furan-2-yl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]-N,N-dimethylethanamine
Smiles: CN(CCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1)C

STK582515
Synonyms: 4-{[(E)-phenylmethylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccccc1)c1cccnc1

STK849779
Synonyms: N-(2-methoxyethyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK582516
Synonyms: 2-{methyl[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)C

STK582519
Synonyms: N-[(4-benzylpiperidin-1-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CCC(CC1)Cc1ccccc1)C

STK582520
Synonyms: 6'-hydroxy-4-methyl-3'-(2-phenylethyl)-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1CCc1ccccc1)CN(C)c1c(C2)c2ccccc2cc1

STK582521
Synonyms: N-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Smiles: S=C1S/C(=C/c2ccc(c(c2)O)O)/C(=O)N1NC(=O)c1ccccc1O

STK849780
Synonyms: 3-(4-chlorophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)ccc1OC)c1ccc(cc1)Cl

STK849782
Synonyms: 6-hydroxy-4-phenyl-2-(propylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccccc1

STK582529
Synonyms: 6-chloro-4-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: COc1ccccc1N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK582530
Synonyms: 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]ncc1c1ccc(cc1)Cl

STK582534
Synonyms: 3-cyclohexyl-1-[2-(pyrrolidin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: O=c1c2c3CCCCCc3sc2n(c(=O)n1C1CCCCC1)CCN1CCCC1

STK582537
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: Fc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK582547
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Fc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK582548
Synonyms: N-[(2E)-5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c/1\[nH]nc(s1)SCc1c(Cl)cccc1Cl

STK582549
Synonyms: methyl5-fluoro-3-[(propylsulfonyl)amino]-1H-indole-2-carboxylate
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OC

STK582550
Synonyms: 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccn1)OC

STK849786
Synonyms: 2-{4-[4-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-hydroxyphenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccc(cc1)Br)C(F)(F)F

STK849787
Synonyms: N-[(2Z)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: Cc1[nH]/c(=N/C(=O)C23CCC(C3(C)C)(C(=O)O2)C)/sc1C

STK582557
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-6-(pyrrolidin-1-yl)pyrimidine
Smiles: Cc1nn(c(c1)C)c1nc(cc(n1)c1ccccc1)N1CCCC1

STK582558
Synonyms: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OC)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1

STK582563
Synonyms: 2',6'-dihydroxy-13-methyl-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',8-dione
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C

STK582567
Synonyms: N-[6-chloro-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-2-yl]-3-nitrobenzamide
Smiles: COc1ccc(cc1OC)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])oc2c(c1=O)cc(cc2)Cl

STK582569
Synonyms: methylN-{[4-(acetylamino)phenyl]carbamoyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)NC(=O)C

STK582572
Synonyms: 4-hydroxy-3,6,6-trimethyl-N-(pyridin-4-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)Nc1ccncc1

STK582573
Synonyms: N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK849790
Synonyms: ethyl(2E)-2-{[(5-bromopyridin-3-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)c2cncc(c2)Br)/[nH]c1C

STK582581
Synonyms: 1-(4-chlorophenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582584
Synonyms: 6-bromo-N-(furan-2-ylmethyl)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxamide
Smiles: COc1cc2c(cc1Br)n(c(c2C(=O)NCc1ccco1)C)C

STK582586
Synonyms: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)C)NCc1ccc2c(c1)OCO2

STK582587
Synonyms: 7-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: COc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1cc(C)cc(c1)C

STK582590
Synonyms: N-{4-[ethyl(phenyl)sulfamoyl]phenyl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)c1ccccc1

STK849792
Synonyms: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn(c(c1)C)c1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK849793
Synonyms: 6-chloro-4-oxo-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)/s1

STK582599
Synonyms: 5-(benzyloxy)-2-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1

STK582600
Synonyms: 2,7,7-trimethyl-1-(pyridin-2-ylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CC1=NC(C2=C(N1Cc1ccccn1)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F

STK849795
Synonyms: methyl[7-hydroxy-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: COC(=O)Cc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK582601
Synonyms: (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)/C2=O)CC

STK582603
Synonyms: 3-(furan-2-yl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2CC(C1)c1ccco1)cccc3)C

STK582610
Synonyms: N,N-dimethyl-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethanamine
Smiles: CN(CCOc1nc(C)nc2c1oc1c2cccc1)C

STK582615
Synonyms: 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-ol
Smiles: OC1=NC2=C(C(N1)c1ccc3c(c1)OCO3)CCc1c2cccc1

STK582619
Synonyms: 4-{(2E)-2-[(2-hydroxy-8-methylquinolin-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: Oc1nc2c(C)cccc2cc1/C=N/Nc1ccc(cc1)C(=O)O

STK582624
Synonyms: 4-(furan-2-yl)-6-hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1ccco1)c(C)nn2c1ccc(cc1)C

STK582630
Synonyms: 2-{(2E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
Smiles: Cc1nn(c(c1/C=N/N=c/1\[nH]c2c([nH]1)cccc2)C)c1ccccc1

STK849800
Synonyms: 2-methyl-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCC2CCCO2)CCCC1

STK582631
Synonyms: (5S)-5-[2-(methylsulfanyl)ethyl]-3-[4-(morpholin-4-ylmethyl)phenyl]imidazolidine-2,4-dione
Smiles: CSCC[C@@H]1NC(=O)N(C1=O)c1ccc(cc1)CN1CCOCC1

STK582635
Synonyms: 9,9-dimethyl-2,12-di(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1cccnc1

STK582640
Synonyms: (1S)-1-{5-[(3-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-3-methylbutan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1cccc(c1)F)N)C

STK582644
Synonyms: 4-methoxy-N-(2-methoxyphenyl)-1H-indole-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1cc2c([nH]1)cccc2OC

STK582650
Synonyms: 4-amino-N-(4-methoxybenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc(=S)n(c1N)C

STK582652
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK582653
Synonyms: 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

STK582654
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-propylquinoline-3-carboxamide
Smiles: CCCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br

STK582655
Synonyms: 8-benzyl-N-(3-ethoxypropyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCOCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1

STK582666
Synonyms: ethyl4-[({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK582668
Synonyms: 6'-hydroxy-3'-phenyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1c1ccccc1)Cc1ccccc1N1C2COCC1

STK582670
Synonyms: 4-tert-butyl-N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)n2c(n1)nc(n2)c1ccco1

STK582672
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-hydroxy-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1nc2[nH]n(c(=O)c2c(c1Cc1ccccc1)O)c1nc2c(s1)cccc2

STK849805
Synonyms: 8-[(dimethylammonio)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cccc(c1)C)C(F)(F)F)C

STK582677
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)NCCc1ccc(cc1)S(=O)(=O)N

STK582678
Synonyms: N-(4-bromo-2-fluorophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1F)Br)CCCCCn1cnc2c(c1=O)cccc2

STK582679
Synonyms: 7-cyclohexyl-N~5~-(3-methoxypropyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: COCCCNc1nc2[nH]nc(c2c2c1CN(CC2)C1CCCCC1)N

STK582681
Synonyms: 3-{[(4-methylphenyl)amino](phenyl)methyl}quinoxalin-2-ol
Smiles: Cc1ccc(cc1)NC(c1nc2ccccc2nc1O)c1ccccc1

STK849806
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCC1CCCO1

STK582687
Synonyms: methylN-[(2,6-dimethylmorpholin-4-yl)carbonyl]-L-phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CC(C)OC(C1)C)Cc1ccccc1

STK582688
Synonyms: (5E)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCN1CCCCC1)c1cccc(c1)C(F)(F)F

STK582689
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nnc1c1ccccc1F

STK849807
Synonyms: (2Z)-2-(3-methylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)C)/C2=O

STK582693
Synonyms: 5-(pyridin-2-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(=S)[nH]nc1c1ccccn1)OC

STK849808
Synonyms: 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
Smiles: Clc1ccc(cc1NC1OC(=O)c2c1cccc2)C(F)(F)F

STK582695
Synonyms: 11-chloro-3-(pyridin-2-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: Clc1cc2c(c3c1OCN(C3)c1ccccn1)oc(=O)c1c2CCC1

STK582697
Synonyms: 1'-methyl-6'-nitro-1-(2-phenylethyl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1CCc1ccccc1)CN(C)c1c(C2)cc(cc1)[N+](=O)[O-]

STK582700
Synonyms: 7-[(2-fluorobenzyl)oxy]-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1F

STK582702
Synonyms: 4-[(4-methylpiperidin-1-yl)methyl]-6-(propan-2-yl)-2H-chromen-2-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)C

STK582703
Synonyms: N,N-dimethyl-N'-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CN(CCNc1cc(C)nc2n1ncc2c1ccc(cc1)C)C

STK582704
Synonyms: (4Z)-4-[(3,4-dimethylphenyl)imino]-6-[(4-ethylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CCN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(c(c2)C)C)/[nH]1

STK582705
Synonyms: N-(2-chlorophenyl)-2,4-dihydroxy-6,7-dimethoxyquinoline-3-carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1ccccc1Cl

STK582707
Synonyms: 5-[(3-chlorobenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: Clc1cccc(c1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK582710
Synonyms: 2-{benzyl[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)Cc1ccccc1

STK582711
Synonyms: 2-({3-[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O

STK582712
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1Cl

STK849810
Synonyms: N-benzyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nc2n(c(c1C)NCc1ccccc1)ncc2c1ccccc1

STK582716
Synonyms: N-(2,5-dimethoxyphenyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: COc1ccc(cc1NC(=O)Cn1c(O)nc2c(c1=O)cccc2)OC

STK582717
Synonyms: (2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
Smiles: Cc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C

STK582718
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-2-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(C(N1C(=S)S/C(=C/c2cccs2)/C1=O)C)NCCc1c[nH]c2c1cccc2

STK582720
Synonyms: 5-tert-butyl-3-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK582724
Synonyms: 2-amino-4-(2-bromophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Br)c(O)nc(c2)C

STK582727
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1cc(Cl)c(cc1O)C

STK582732
Synonyms: N-tert-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)NC(C)(C)C

STK582733
Synonyms: 9-(3-fluorophenyl)-6-(2-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK582736
Synonyms: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)NCCc1ccccc1F

STK582737
Synonyms: 4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-yl4-tert-butylbenzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)c1ccc(cc1)C(C)(C)C

STK582742
Synonyms: (5E)-6-hydroxy-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=N/Nc2ccc3c(c2)COC3=O)/C(=N1)O

STK849814
Synonyms: (4E)-4-{[(2,5-dimethoxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(c(c1)N/C=C/1\C(=NN(C1=O)c1ccccc1)C)OC

STK582745
Synonyms: 8-[(2,5-dichlorophenyl)sulfonyl]-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Clc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)Cl

STK582752
Synonyms: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-methyl-1H-benzimidazol-1-yl)propan-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCn1c(C)nc2c1cccc2

STK582753
Synonyms: (E)-1-(4-chlorophenyl)-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]methanimine
Smiles: Clc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK582757
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCNc1nc2c(n1CC(COC(C)C)O)c(O)nc(=O)n2C)C

STK849816
Synonyms: 2-(azepan-1-ylcarbonyl)-1-benzylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)N1CCCCCC1

STK582763
Synonyms: 7,8-dimethoxy-3-phenyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Smiles: COc1cc2c(cc1OC)[nH]c1c2cnn(c1=O)c1ccccc1

STK849817
Synonyms: 2-hydroxy-N-(5-methoxy-2-methylphenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)C1CC(=NC2=C1C(=O)CCC2)O)C

STK582770
Synonyms: propyl4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1ncnc(c1)n1ncc(c1C)C(=O)C

STK582777
Synonyms: N-(heptan-2-ylcarbamoyl)-D-alanine
Smiles: CC(NC(=O)N[C@@H](C(=O)O)C)CCCCC

STK582779
Synonyms: 1-amino-N-(2-methoxyphenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK582781
Synonyms: N-[(thiophen-2-ylmethyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCc1cccs1)C

STK582783
Synonyms: ethyl2-amino-5'-chloro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Smiles: CCOC(=O)C1=C(N)OC2=C(C31C(=O)Nc1c3cc(Cl)cc1)C(=O)CCC2

STK582785
Synonyms: 2-[(2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2)C)NCc1ccncc1

STK582786
Synonyms: N-(3-chloro-4-fluorophenyl)-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCn1c(C)nc2c1cccc2

STK849821
Synonyms: N,N-dimethyl-N'-(2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-yl)benzene-1,4-diamine
Smiles: Cc1cc(Nc2ccc(cc2)N(C)C)n2c(n1)c1c(C)cc(nc1n2)C

STK582788
Synonyms: 4-(furan-2-yl)-6-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1ccco1)c(C)nn2c1ccccc1

STK582790
Synonyms: tert-butyl(3S)-3-{[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK849824
Synonyms: 1-benzyl-7-methyl-N-[2-(morpholin-4-yl)ethyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCCN1CCOCC1)Cc1ccccc1

STK582792
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK582794
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(3,5-dimethylphenyl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc(n(c1=O)c1cc(C)cc(c1)C)O

STK582795
Synonyms: (5,5-dimethyl-4,5-dihydrospiro[2-benzazepine-3,1'-cyclohexan]-2(1H)-yl)(morpholin-4-yl)methanone
Smiles: O=C(N1Cc2ccccc2C(CC21CCCCC2)(C)C)N1CCOCC1

STK582800
Synonyms: N-(2,6-dimethylphenyl)-1-(4-methoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)CC1(c1ccccc1)C(=O)Nc1c(C)cccc1C

STK849825
Synonyms: methyl4-({7-[2-(benzyloxy)-2-oxoethoxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCC(=O)OCc1ccccc1

STK582803
Synonyms: 2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)C

STK849826
Synonyms: N,N-dibenzyl-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(Cc1ccccc1)Cc1ccccc1

STK582807
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Oc1cc(ccc1c1[nH]nc(c1c1ccccc1)C)OCc1ccc(c(c1)Cl)Cl

STK849827
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)acetamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)COc1ccc(cc1)F

STK582812
Synonyms: 2-[(4-chlorophenoxy)methyl]-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)oc(c1C)C

STK849828
Synonyms: 2-(2-{[5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(nc2n1ncc2c1ccc(cc1)C)C(C)(C)C

STK582814
Synonyms: 1-[2-(furan-2-yl)-10-(4-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1ccco1)C(=O)C

STK849831
Synonyms: (2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK582818
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK849833
Synonyms: 4-(2-fluorophenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1ccccc1O

STK582820
Synonyms: 7'-{[1-(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)ethyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: S=C1N(C)C(=O)C(=C(Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C)C(=O)N1C

STK582828
Synonyms: (2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(cc3)S(=O)(=O)N3CCCCCC3)/NCCc2cc1OC

STK849838
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1c(c2)cccc1C

STK582831
Synonyms: 2-({[(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=O)S/C(=C/c2ccc(cc2)F)/C1=O

STK582833
Synonyms: 1-ethyl-2-methyl-1'-(2-methylpropyl)-2H,2'H,4H-spiro[dipyrido[1,2-a:2',3'-d]pyrimidine-3,5'-pyrimidine]-2',4',5,6'(1H,1'H,3'H)-tetrone
Smiles: CCN1c2nc3ccccn3c(=O)c2CC2(C1C)C(=O)NC(=O)N(C2=O)CC(C)C

STK582835
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-5-hydroxy-4-[4-(propan-2-yl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C(C)C

STK582837
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK582839
Synonyms: 7-(piperidin-1-yl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3N1CCCCC1)C

STK849839
Synonyms: 6-benzyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(c1)nc(c(c2O)Cc1ccccc1)C

STK849841
Synonyms: 1-benzyl-7-methyl-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: C=CCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK849842
Synonyms: 8-(2-ethylphenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK582842
Synonyms: 1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582844
Synonyms: 4-chloro-N-[5-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)C(F)(F)F

STK582846
Synonyms: 5-(3-methoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Smiles: COc1cccc(c1)c1cc(n2c(n1)c(cn2)C(=O)NCC1CCCO1)C(F)(F)F

STK582847
Synonyms: N-methyl-N-(1-methylpiperidin-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine
Smiles: CN1CCC(CC1)N(c1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-])C

STK582850
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propan-1-one
Smiles: O=C(N1CCC2(CC1)OCCO2)CCc1nc2c([nH]1)cccc2

STK582852
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-6-tert-butylpyrimidin-4-ol
Smiles: Oc1nc(Nc2nc3c(s2)cccc3)nc(c1)C(C)(C)C

STK582853
Synonyms: (4Z)-2-(2-chlorophenyl)-4-(4-methoxybenzylidene)-4H-imidazol-5-ol
Smiles: COc1ccc(cc1)/C=C/1\N=C(N=C1O)c1ccccc1Cl

STK582855
Synonyms: 3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Smiles: CCOc1cc(ccc1OC)c1noc(n1)CCC(=O)N1CCN(CC1)C

STK582857
Synonyms: (E)-1-(4-methylphenyl)-N-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)methanimine
Smiles: Cc1ccc(cc1)/C=N/OCc1nc2n(n1)cnc1c2c2CCCCCc2s1

STK582861
Synonyms: 2-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1C(C(=O)O)C(C)C

STK582866
Synonyms: 4-[(2-methylpiperidinium-1-yl)methyl]-6-oxo-6H-benzo[c]chromen-3-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCCC1C)oc(=O)c1c2cccc1

STK582871
Synonyms: 7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)CC(=C)C)n2c(n1)c(cn2)c1ccccc1

STK582878
Synonyms: (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
Smiles: Clc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C

STK582879
Synonyms: N-[4-(4-acetylpiperazin-1-yl)phenyl]-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C

STK582881
Synonyms: (4E)-1-(2-hydroxyethyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(c2ccc(cc2)C)/C(=C(/C=C/c2ccccc2)\O)/C(=O)C1=O

STK582884
Synonyms: (6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)(morpholin-4-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N1CCOCC1

STK582885
Synonyms: 10-(1H-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N(C2c2ccccc2)Cc2nc4c([nH]2)cccc4)cccc3)CC(C1)(C)C

STK582886
Synonyms: (2'S,3R,3'S,7a'S)-5''-fluoro-2'-(thiophen-2-ylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Fc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STK582887
Synonyms: 3-(1,3-benzodioxol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
Smiles: O=C(CCc1ccc2c(c1)OCO2)NCCc1nnc2n1cccc2

STK582888
Synonyms: 2-{[(2Z)-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)/C2=O)C

STK582891
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK582892
Synonyms: N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)NC1CCN(CC1)Cc1ccccc1

STK582893
Synonyms: 7-(5-chloro-2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(c(c1)n1ncc2c1ncn1c2nnc1)C

STK582894
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3,4-dichlorophenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(c2ccc(c(c2)Cl)Cl)c2c(C1=O)n[nH]c2c1cc(Cl)c(cc1O)C

STK582895
Synonyms: (2E,5Z)-2-[(3-hydroxyphenyl)imino]-5-(thiophen-2-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Oc1cccc(c1)/N=C\1/S/C(=C\c2cccs2)/C(=N1)O

STK582898
Synonyms: 5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)C1NNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C1

STK582900
Synonyms: 1-(4-ethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK582903
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK582908
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(7,8-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCCC1=CCCCC1

STK582909
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Br

STK582911
Synonyms: (3,5-dimethoxyphenyl)(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methanone
Smiles: COc1cc(OC)cc(c1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK582912
Synonyms: (5Z)-3-cyclohexyl-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(Oc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)c1ccccc1)C

STK582913
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-(10H-phenothiazin-10-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)N1c2ccccc2Sc2c1cccc2

STK582915
Synonyms: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1noc(c1)C

STK582920
Synonyms: 5-[(2-methylprop-2-en-1-yl)oxy]-2-[4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C(F)(F)F

STK849853
Synonyms: 7-methyl-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)cc(cc3)C)/[nH]2

STK849854
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2NCCN1CCOCC1

STK582923
Synonyms: (5Z)-4-hydroxy-5-{[1-(naphthalen-2-ylmethyl)-1H-indol-3-yl]methylidene}-1,5-dihydro-2H-imidazol-2-one
Smiles: O=C1N=C(/C(=C/c2cn(c3c2cccc3)Cc2ccc3c(c2)cccc3)/N1)O

STK582925
Synonyms: (5E)-3-(4-chlorophenyl)-6-hydroxy-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2coc3c(c2=O)cc(cc3)O)/C1=O)O

STK849856
Synonyms: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)C

STK849857
Synonyms: 1-(3-chloro-4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1cc(ccc1O)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(c(c1)Cl)F

STK582940
Synonyms: (3S)-N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NC1CCCCCC1

STK582947
Synonyms: N-(3-chloro-2-methylphenyl)-2-[(1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy]acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK582951
Synonyms: (5Z)-3-benzyl-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1)C

STK582952
Synonyms: 7-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)C)C

STK849863
Synonyms: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1

STK849864
Synonyms: 1-benzyl-N-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)NCCCn1ccnc1

STK582964
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-3-propoxybenzamide
Smiles: CCCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(cc1)Cl

STK582967
Synonyms: N-{7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}glycine
Smiles: OC(=O)CNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK582969
Synonyms: 6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: O=C(N1CCCC1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK582972
Synonyms: 2,12-di(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccco1

STK849867
Synonyms: 2-chloro-N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: Clc1ccc(cc1)c1nonc1NC(=O)c1ccccc1Cl

STK582978
Synonyms: (2R)-2-amino-N'-[(E)-2H-chromen-3-ylmethylidene]-4-methylpentanehydrazide(non-preferredname)
Smiles: CC(C[C@H](C(=O)N/N=C/C1=Cc2c(OC1)cccc2)N)C

STK582979
Synonyms: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: OCCN1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2)C

STK849870
Synonyms: 2-ethyl-5-methyl-7-(morpholin-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2N1CCOCC1)C

STK582986
Synonyms: [3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl](phenyl)methanone
Smiles: COc1ccc(cc1)C1=NOC(C1C(=O)c1ccccc1)c1ccccc1

STK582987
Synonyms: N-(4-sulfamoylbenzyl)-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)C)C)NCc1ccc(cc1)S(=O)(=O)N

STK849871
Synonyms: 1-(3-methoxypropyl)-9-methyl-4-oxo-N-(propan-2-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC(C)C

STK582991
Synonyms: 2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinazolin-4-ol
Smiles: Oc1nc(CN2CCN(CC2)c2ccccn2)nc2c1cccc2

STK582993
Synonyms: 2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2ccccc2C)c(c(n1)C(F)(F)F)c1ccccc1

STK582996
Synonyms: (2S)-N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1F)Br)C

STK582998
Synonyms: (2,5-dichlorophenyl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1cc(Cl)ccc1Cl

STK583005
Synonyms: 9-(3,5-difluorophenyl)-2,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)nc(n3)C)C1)O

STK583006
Synonyms: 2-(biphenyl-4-yloxy)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccc(cc2)c2ccccc2)nc1=O

STK849872
Synonyms: N-[4-(acetylamino)phenyl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)c(C)c(cc2)C

STK583007
Synonyms: N-[2-(2-acetyl-4,5-dimethoxyphenyl)ethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
Smiles: CCOc1c(Cl)cc(cc1OC)C(=O)NCCc1cc(OC)c(cc1C(=O)C)OC

STK583009
Synonyms: 2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1cccnc1)C

STK583010
Synonyms: 2-[(4-methylphenyl)amino]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Cc1ccc(cc1)Nc1nc(CSc2nnnn2c2ccccc2)cc(n1)O

STK583012
Synonyms: 1-[3-amino-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]ethanone
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(O)CCCC2=Nc2c1c(N)c(s2)C(=O)C

STK583013
Synonyms: 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK849875
Synonyms: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
Smiles: O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)NCCc1nc2c([nH]1)cccc2

STK849876
Synonyms: 2-[4-(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK583030
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK583034
Synonyms: methylN-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)NCCc1ccc(cc1)S(=O)(=O)N)CC(C)C

STK583035
Synonyms: {4-[(3aR,4R,7S,7aR)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1

STK849879
Synonyms: 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK583037
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(o1)C

STK583040
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}butanamide
Smiles: CCCC(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK583041
Synonyms: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)O

STK583042
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(C)ccc1C

STK583045
Synonyms: 6-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O

STK583046
Synonyms: 2-amino-5-hydroxy-4-(pyridin-3-yl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(O)nc1c2cccc1

STK583047
Synonyms: 2-(2-methyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanol
Smiles: OCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)C)c1ccccc1

STK583048
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(2-methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br)C

STK583050
Synonyms: 5-ethyl-2-(phenoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1cc(O)n2c(n1)c(c1ccccc1)c(n2)COc1ccccc1

STK583053
Synonyms: N'-[(E)-(2-chloro-8-methylquinolin-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2cccc(c2nc1Cl)C

STK583055
Synonyms: 3-(1H-benzimidazol-2-yl)-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Nc1c(c2nc3c([nH]2)cccc3)c2c(n1CCN1CCOCC1)nc1c(n2)cccc1

STK583056
Synonyms: 5-(2-fluorophenyl)-4-{[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C/C(=C\c1ccco1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK583057
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCc1ccccn1

STK849882
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccccc1)c1nccnc1

STK583061
Synonyms: 4-[(4-carboxyphenyl)sulfamoyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)O

STK583062
Synonyms: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]glycine
Smiles: O=C(CCn1nnc2c(c1=O)cccc2)NCC(=O)O

STK583063
Synonyms: 7-(benzyloxy)-3-(4-bromophenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Brc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccccc1

STK849883
Synonyms: 1,7-dimethyl-8-(2-methylphenyl)-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCOCC1

STK583068
Synonyms: (5Z)-5-({1-[4-(diethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4-hydroxy-1,5-dihydro-2H-imidazol-2-one
Smiles: CCN(c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\NC(=O)N=C1O)CC

STK583072
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK849884
Synonyms: 6-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK583073
Synonyms: 2-[(4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)cc(=O)o2)NCc1cccnc1

STK583074
Synonyms: 4-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK583076
Synonyms: 2,3-dihydro-1H-indol-1-yl(4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCc2c1cccc2

STK849885
Synonyms: N-(2-methoxyethyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCNC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C

STK583084
Synonyms: 8-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Smiles: CN1CC[NH+](CC1)Cc1cc(=O)oc2c1ccc(c2C)[O-]

STK849887
Synonyms: 2-[(2,4-dimethylphenyl)amino]-4-(furan-2-yl)-8-methyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1ccc(c(c1)C)NC1=NC(n2c(=N1)[nH]c(C)cc2=O)c1ccco1

STK583086
Synonyms: N-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propane-1-sulfonamide
Smiles: CCCS(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)C

STK583095
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1Oc1cccc(c1)OC)C

STK849889
Synonyms: 2-[(2-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: COc1ccccc1CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1

STK583096
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK583097
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1ccncc1)C

STK849891
Synonyms: N-(2-methoxyethyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: COCCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK583099
Synonyms: 4-[(E)-(7-iminio-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])oc(c2)C

STK583101
Synonyms: (5E)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)C1CCS(=O)(=O)C1

STK583103
Synonyms: 4-{(E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2-ol
Smiles: Clc1ccc(cc1)c1n[nH]cc1/C=C/c1nc(O)nc(c1)C(F)(F)F

STK583104
Synonyms: N-(2,5-dimethylphenyl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C)C

STK583106
Synonyms: 4-[(2E)-2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1cnc2c(n1)cccc2

STK583107
Synonyms: 2-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}-N-phenylhydrazinecarbothioamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NNC(=S)Nc2ccccc2)/C)/C1=O)O

STK583108
Synonyms: 4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
Smiles: O=C(NCCc1c[nH]c2c1cccc2)CCCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK583115
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK583117
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/1\C(=O)Nc2c1cccc2

STK849894
Synonyms: 4-oxo-N-[(2E)-5-(propylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: CCCSc1n[nH]/c(=N\C(=O)c2cc(=O)c3c(o2)cccc3)/s1

STK583119
Synonyms: N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1ccccc1

STK583120
Synonyms: 3-(2-chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccccc1Cl

STK583122
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK583124
Synonyms: N-(2-chlorophenyl)-5-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccccc1Cl

STK583125
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccccc1Cl

STK583134
Synonyms: ethyl{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccco1

STK583136
Synonyms: 6-cyclopentyl-1-(6-methylpyridin-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1cccc(n1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCC1

STK583139
Synonyms: N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NS(=O)(=O)C

STK583141
Synonyms: 7-chloro-1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(c2ccc(cc2)OC)c2c(C1=O)oc1c(c2=O)cc(c(c1)C)Cl

STK849895
Synonyms: 3-(4-chlorophenyl)-N-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NC1CCCC1

STK583147
Synonyms: 1-benzyl-2-[(2,6-dimethylmorpholin-4-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1OC(C)CN(C1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK583152
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK583153
Synonyms: 2-(4-methylphenyl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Cc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)cc(cc2)O

STK849898
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(pyridin-2-yl)propanamide
Smiles: O=C(Nc1ccccn1)CCC1COc2c(O1)cccc2

STK583159
Synonyms: (2E,5E)-2-[(4-hydroxyphenyl)imino]-5-(4-methoxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1ccc(cc1)/C=C\1/S/C(=N/c2ccc(cc2)O)/N=C1O

STK583161
Synonyms: N'-[5,6-di(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]-N,N-diethylpropane-1,3-diamine
Smiles: CCN(CCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1)CC

STK583165
Synonyms: N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Cc1cccc(c1)c1nc2n(n1)c(cc(n2)O)NC(=O)c1ccccc1

STK583166
Synonyms: 4-chloro-N-[(2Z)-4-(thiophen-2-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: Clc1ccc(cc1)C(=O)/N=c/1\scc([nH]1)c1cccs1

STK849899
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK583170
Synonyms: 6-hydroxy-3-(4-methoxyphenyl)-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK583172
Synonyms: 7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C

STK583174
Synonyms: 2-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-4-ol
Smiles: CCN1CCN(CC1)c1nc(C)c(c(n1)O)C

STK583180
Synonyms: N-[(3E)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)CC

STK583181
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-tert-butyl-5-chloro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1ccccc1)C(=O)N2

STK583185
Synonyms: 1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK583190
Synonyms: 1-{5-methyl-1-[2-phenyl-6-(propylamino)pyrimidin-4-yl]-1H-pyrazol-4-yl}ethanone
Smiles: CCCNc1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK849900
Synonyms: 4-{[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]carbamoyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK849901
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(CNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl)C

STK583200
Synonyms: 1-amino-4-[(4-fluorophenyl)amino]-2-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(Nc2ccc(cc2)F)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK583201
Synonyms: 5-(furan-2-yl)-3-(3-hydroxypropyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: OCCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)cc(cc1)O

STK583205
Synonyms: N-(2,4-dimethoxyphenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK849902
Synonyms: 3-(2-chlorophenyl)-5-methyl-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-1,2-oxazole-4-carboxamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1c(C)onc1c1ccccc1Cl)/[nH]2

STK849903
Synonyms: 3-methyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
Smiles: CC(CC(=O)Nc1nonc1c1ccc(cc1)C)C

STK583208
Synonyms: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCCc1ccc(cc1)S(=O)(=O)N

STK849905
Synonyms: N-(furan-2-ylmethyl)-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCc1ccco1

STK583216
Synonyms: ethyl(2E)-2-{[5-cyano-4-(4-fluorophenyl)pyrimidin-2-yl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/c2ncc(c(n2)c2ccc(cc2)F)C#N)/[nH]c1C

STK583221
Synonyms: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK583222
Synonyms: N-[4-(acetylamino)phenyl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C

STK583223
Synonyms: 3-(1-cyclohexylethyl)-3-methylhexanedioicacid
Smiles: OC(=O)CC(C(C1CCCCC1)C)(CCC(=O)O)C

STK583224
Synonyms: 8-(4-chlorophenoxy)-7-ethyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: CCc1c(Oc2ccc(cc2)Cl)nc2n(c1=O)CCCS2

STK583226
Synonyms: 4-(4-chlorophenyl)-3-(5-fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(F)ccc1O

STK849908
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbenzamide
Smiles: COc1ccc(cc1OC)c1nonc1NC(=O)c1cccc(c1)C

STK583228
Synonyms: 7-(furan-2-yl)-5-hydroxy-2-methyl-N,4-di(pyridin-2-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CC1=C(C(=O)Nc2ccccn2)C(C2=C(CC(CC2=N1)c1ccco1)O)c1ccccn1

STK583230
Synonyms:
Smiles: CCCNC(=O)[C@H](C(CC)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK849909
Synonyms: 2-(benzylamino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1ccccc1

STK583233
Synonyms: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3(2H)-one
Smiles: Clc1c(cnn(c1=O)c1nc2c([nH]1)cccc2)N1CCc2c(C1)cccc2

STK583238
Synonyms: N'-[7-(furan-2-ylmethyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(C)c(n2Cc1ccco1)C)C

STK583240
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK849910
Synonyms: 1-(3-methoxypropyl)-N-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccc(c1)C

STK583242
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-(3-methylphenyl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: Cc1cccc(c1)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK849912
Synonyms: 8-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OC)c1ccc(c(c1)C)C

STK583251
Synonyms: (1E,2E)-1-{2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: Cc1ccc(cc1)C1/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK583253
Synonyms: 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methylpyrimidin-4-ol
Smiles: CCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)c(C)ccc2

STK583254
Synonyms: 3-(11-imino-12-phenyl-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl)-N,N-dimethylpropan-1-amine
Smiles: CN(CCCn1cnc2c(c1=N)C(c1ccccc1)c1c(O2)ccc2c1cccc2)C

STK583256
Synonyms: N-[2-(morpholin-4-yl)-5-(3-propyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]acetamide
Smiles: CCCc1nnc2n1nc(c1ccc(c(c1)NC(=O)C)N1CCOCC1)c1c2cccc1

STK583257
Synonyms: 2-amino-5-(4-ethoxyphenyl)-6-hydroxy-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C

STK849914
Synonyms: 3-(4-chlorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK583258
Synonyms: N-(4-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Smiles: Fc1ccc(cc1)CNc1cc(C)nc2n1ncn2

STK583259
Synonyms: 5-[(2,5-dimethylbenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1cc(C)ccc1C

STK583260
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-phenylalanylglycine
Smiles: OC(=O)CNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)Cc1ccccc1

STK583261
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]thiophene-2-carboxamide
Smiles: COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccs1)/C#N

STK849915
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)quinazolin-4-ol
Smiles: Cc1nn(c(c1)C)c1nc(O)c2c(n1)cccc2

STK849916
Synonyms: 3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Oc1cc(nc2n1ncc2c1ccccc1)c1ccccc1

STK849917
Synonyms: 5-tert-butyl-3-phenyl-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK583271
Synonyms: 7-hydroxy-4-(4-methoxyphenyl)-8-{[(pyridin-2-ylmethyl)amino]methyl}-2H-chromen-2-one
Smiles: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2CNCc1ccccn1)O

STK583272
Synonyms: 2-hydroxy-1-phenyl-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: OC1=NC(=O)C2(C(=O)N1c1ccccc1)Cc1ccccc1N1C2CCC1

STK849918
Synonyms: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1c(F)cccc1Cl)Cc1ccccc1

STK583275
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)ccc(c1)C

STK849919
Synonyms: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: CCn1c(=S)sc(c1N)C(=O)NCc1ccc2c(c1)OCO2

STK849920
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O

STK583277
Synonyms: 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
Smiles: CCn1c(nnc1SCc1cc(C)ccc1C)COc1ccc(cc1)Cl

STK849922
Synonyms: 4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-ethyl-3-nitroquinolin-2(1H)-one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])NC1CCS(=O)(=O)C1

STK583279
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl(5-fluoro-1H-indol-2-yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCC2(CC1)OCCO2

STK849924
Synonyms: 1-benzyl-7-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc(cc1)C(C)C)Cc1ccccc1

STK583281
Synonyms: 7-chloro-2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK849925
Synonyms: (2Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(Br)c(c(c1)OC)O)/c1scc(n1)c1cccc(c1)Br

STK583285
Synonyms: N'-[(1E)-1-(biphenyl-4-yl)ethylidene]-5-cyclopropyl-1H-pyrazole-3-carbohydrazide
Smiles: C/C(=N\NC(=O)c1n[nH]c(c1)C1CC1)/c1ccc(cc1)c1ccccc1

STK583286
Synonyms: N-[1-({[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amino)-3-methyl-1-oxobutan-2-yl]benzamide
Smiles: CC(C(C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F)NC(=O)c1ccccc1)C

STK583288
Synonyms: methylN-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC1=CCCCC1

STK849927
Synonyms: 6,8-dimethyl-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C

STK583294
Synonyms: 1-benzyl-N-butyl-N,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)C

STK583297
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc2c(c1)OCCO2

STK583298
Synonyms: 2-(2-chlorophenyl)-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK583303
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl(4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCC2(CC1)OCCO2

STK583304
Synonyms: 7-chloro-2-methyl-4-[2-(piperidin-1-yl)ethyl]-4H-[1,3]thiazolo[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1nc(sc1n2CCN1CCCCC1)C

STK849929
Synonyms: 2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(cc1)OC)Oc1ccccc1F

STK583312
Synonyms: 2-[(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetamide
Smiles: NC(=O)COc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl

STK583314
Synonyms: 16-(4-fluorophenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: Fc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1

STK583320
Synonyms: N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pentanamide
Smiles: CCCCC(=O)Nc1nn2c(n1)NC(CC2c1ccccc1)C

STK583321
Synonyms: 6-cyclopentyl-1-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCC1)CCc1ccccc1

STK583322
Synonyms: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-{[2-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cn(c2c1cccc2)C)Nc1ccccc1C(F)(F)F

STK583330
Synonyms: 10-methyl-11-(4-methylphenyl)-8-phenyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccn1)c1ccccc1

STK583331
Synonyms: N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C

STK849933
Synonyms: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl2,2-dimethylpropanoate
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)C(C)(C)C

STK849934
Synonyms: 8-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)ccc1OC

STK583334
Synonyms: 1-(3-hydroxyphenyl)-2-(4-methoxybenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C

STK583338
Synonyms: 11-(4-chlorophenyl)-10-methyl-8-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1cccnc1)c1ccccc1

STK583340
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1cccnc1)O

STK583343
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK583344
Synonyms: 6-chloro-7-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK583345
Synonyms: (1R,4aS,8aS)-2-(3-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Smiles: COc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1cccc(c1)F

STK583347
Synonyms: N-(2-cyanoethyl)-6-methoxy-N-methyl-1H-indole-2-carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)cc(cc2)OC)C

STK583350
Synonyms: 6-hydroxy-8-[(2-hydroxypropyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(NCC(O)C)nc2c1c(O)nc(=O)n2C

STK583353
Synonyms: 4-(2,4-dichlorophenoxy)-1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)CCCOc1ccc(cc1Cl)Cl

STK583354
Synonyms: N-(2,5-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1ccccc1O)C

STK583355
Synonyms: N-(2-{7-methoxy-6-[(E)-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}methyl]-1,3-benzodioxol-5-yl}ethyl)-N-methylpropanamide
Smiles: CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/NS(=O)(=O)c1ccc(cc1)C)OC)C

STK583357
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccccc1c1cn[nH]c1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK583358
Synonyms: N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-phenylalanyl-L-alanine
Smiles: O=C([C@@H](NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1)N[C@H](C(=O)O)C

STK583359
Synonyms: 2,2-dimethyl-5-(naphthalen-1-ylmethyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,3-dioxane-4,6-dione
Smiles: O=c1cccc2n1C[C@@H]1CN(C[C@H]2C1)CC1(Cc2cccc3c2cccc3)C(=O)OC(OC1=O)(C)C

STK849936
Synonyms: 5,6-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1C)O)C(F)(F)F

STK849937
Synonyms: 2-{4-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-3-hydroxyphenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccc(cc1)Cl)C

STK583373
Synonyms: N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]furan-2-carboxamide
Smiles: Cc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)c1ccco1)O

STK849938
Synonyms: 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)C)oc(cc2=O)CO

STK583374
Synonyms: N-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1cccc2c1non2)C

STK583376
Synonyms: 6-chloro-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)cc2

STK583378
Synonyms: N-[(3-chlorophenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1cccc(c1)Cl

STK583380
Synonyms: 2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1

STK583381
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCc1nc2c([nH]1)cccc2

STK849941
Synonyms: 5,6-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1c(C)nc2n(c1NCc1ccccn1)ncc2c1ccccc1

STK583382
Synonyms: 5-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1cc(O)n2c(n1)cc(n2)C

STK583384
Synonyms: 2-(benzylamino)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1C)O)NCc1ccccc1

STK583387
Synonyms: ethyl4-({5-[4-(benzyloxy)-2-hydroxyphenyl]-1H-pyrazol-4-yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccccc1

STK583389
Synonyms: 4-bromo-N'-[(E)-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/c1cc2cc3OCCOc3cc2nc1O

STK583391
Synonyms: (3a'R,8b'S)-5-bromo-2'-butyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(Br)cc2

STK849944
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1ccccc1O

STK583396
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583397
Synonyms: 3-[(5Z)-5-{[2-(2-chlorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2c(Oc3ccccc3Cl)nc3n(c2=O)cccc3)/C1=O

STK849946
Synonyms: 2-(2-hydroxyethyl)-1'-methyl-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
Smiles: OCCN1C(=O)c2c(C31C(=O)N(c1c3cccc1)C)c(=O)c1c(o2)cccc1

STK583406
Synonyms: 2-(ethylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1

STK583408
Synonyms: 2-({3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=S)S/C(=C\c2ccco2)/C1=O

STK583409
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCc1cccnc1

STK583412
Synonyms: N-benzyl-1-ethyl-5-methoxy-2-methyl-1H-indole-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)NCc1ccccc1)c(n2CC)C

STK849947
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c([nH]n2)c1ccccc1O

STK849950
Synonyms: N-(4-methoxyphenyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccc(cc1)OC

STK583422
Synonyms: 8-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
Smiles: CCc1nc2sc3c(c2cc1C)NC(=O)CNC3=O

STK583423
Synonyms: 2-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-3-hydroxyquinazolin-4(3H)-one
Smiles: Clc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1O

STK583424
Synonyms: N-(2,2-dimethoxyethyl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCC(OC)OC

STK583436
Synonyms: methyl[2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-oxo-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]acetate
Smiles: COC(=O)Cc1cc(O)c2c(n1)[nH]n(c2=O)c1nc(C)cc(n1)C

STK583439
Synonyms: 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)C2CCCC2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK583440
Synonyms: 1-butyl-3-[(4-methoxyphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
Smiles: CCCCN1CN(c2c1nc1ccccc1n2)S(=O)(=O)c1ccc(cc1)OC

STK583443
Synonyms: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
Smiles: CN1CCC(CC1)N(C(=O)c1cccnc1c1nc2c(s1)cccc2)C

STK583444
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl-beta-alanine
Smiles: OC(=O)CCNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK583445
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)Br

STK583447
Synonyms: (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)(3-nitrophenyl)methanone
Smiles: COc1cc2CCN(C(=C)c2cc1OC)C(=O)c1cccc(c1)[N+](=O)[O-]

STK849953
Synonyms: N-(5-chloro-2-methoxyphenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cc(Cl)ccc1OC

STK583450
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1cccc(c1)Cl)C

STK583453
Synonyms: N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NCCCN1CCOCC1

STK849954
Synonyms: N-(2-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)Nc1ccccc1Cl

STK583454
Synonyms: 1-methyl-3-[2-(morpholin-4-yl)ethyl]-8-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccccc1

STK583456
Synonyms: (1S)-1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
Smiles: CSc1nnc(o1)[C@@H](N)C

STK583458
Synonyms: methyl6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOc1ccccc1C1C(C(=O)OC)C(=NC(=C1C#N)SCC(=O)N)O

STK583465
Synonyms: 5-[5-(anthracen-9-yl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=C2NNC(C2)c2c3ccccc3cc3c2cccc3)C(=O)N1C

STK583467
Synonyms: 5-[4-(ethoxycarbonyl)phenyl]-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)C(=O)O

STK849956
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-ylmethanesulfonate
Smiles: O=C1/C(=C/c2ccco2)/Oc2c1ccc(c2C)OS(=O)(=O)C

STK583470
Synonyms: N-(3,4-dichlorophenyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Clc1cc(ccc1Cl)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK849957
Synonyms: propan-2-yl{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CC(OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C)C

STK583471
Synonyms: N-butyl-3,4,5-trimethoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1cc2ccccc2[nH]c1=O

STK849958
Synonyms: 6-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)ccc(c2)C

STK583476
Synonyms: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
Smiles: OCCCN1C(/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C1=O)c1ccc(cc1OC)OC

STK849959
Synonyms: 1-benzyl-7-methyl-2-[(4-phenylpiperazin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1CCN(CC1)c1ccccc1)Cc1ccccc1

STK849960
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCCCC1

STK849961
Synonyms: 1-benzyl-N-(2-methoxyphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK849962
Synonyms: 5-methyl-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1n[nH]c(c1)C)OC

STK583490
Synonyms: N-[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)F)C

STK849963
Synonyms: 7-benzyl-8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)CN1CCc2c(C1)cccc2

STK583492
Synonyms: (4-hydroxy-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-3-yl)(morpholin-4-yl)methanone
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)N1CCOCC1

STK583493
Synonyms: 5-[1-(cyclopropylamino)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C(NC2CC2)C)C1=O

STK583500
Synonyms: methyl(8-fluoro-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate
Smiles: COC(=O)Cn1cnc2c(c1=O)n(C)c1c2cc(cc1)F

STK849966
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O

STK583502
Synonyms: (4E)-4-{[(2,4-dimethylphenyl)amino]methylidene}-2-(1,3-thiazol-2-yl)isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1ccc(c(c1)C)N/C=C\1/C(=O)N(c2nccs2)C(=O)c2c1cccc2

STK583503
Synonyms: 3-benzyl-1-[2-(morpholin-4-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: O=c1c2c3CCCCCc3sc2n(c(=O)n1Cc1ccccc1)CCN1CCOCC1

STK583506
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK583507
Synonyms: {(2Z)-4-hydroxy-2-[(2E)-(1H-indol-3-ylmethylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}aceticacid
Smiles: OC(=O)CC1S/C(=N\N=C\c2c[nH]c3c2cccc3)/N=C1O

STK583514
Synonyms: 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-hydroxy-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1ccc(c(c1)OC)OC)c(C)nn2c1ccc(cc1)F

STK583517
Synonyms: 5-[(2,5-dimethylbenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1cc(C)ccc1C

STK849968
Synonyms: 1-(3-methoxypropyl)-9-methyl-N-(2-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccccc1C

STK583523
Synonyms: 1,6-bis(naphthalen-1-ylamino)-1,6-dioxohexane-2,3,4,5-tetrayltetraacetate(non-preferredname)
Smiles: CC(=O)OC(C(C(=O)Nc1cccc2c1cccc2)OC(=O)C)C(C(C(=O)Nc1cccc2c1cccc2)OC(=O)C)OC(=O)C

STK583527
Synonyms: 4-[4,6-dimethyl-2-(pyridin-2-yl)-1H-indol-3-yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1c(C)cc(c2)C)c1ccccn1

STK583528
Synonyms: N-[(2-methylphenyl)carbamoyl]-D-alanine
Smiles: O=C(Nc1ccccc1C)N[C@@H](C(=O)O)C

STK583531
Synonyms: 7-chloro-1-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK583535
Synonyms: (2E,5E)-5-(3,4-dimethoxybenzylidene)-2-[(4-methylphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1cc(ccc1OC)/C=C\1/S/C(=N/c2ccc(cc2)C)/N=C1O

STK583537
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-7,8-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)c(C)c(cc2)C

STK583542
Synonyms: 1-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
Smiles: COc1ccc(cc1)n1c(nnc1SCC(=O)C(C)(C)C)COc1ccc(cc1)C

STK583546
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1nnc(s1)C

STK583552
Synonyms: methyl(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/C(=O)OC

STK583560
Synonyms: ethyl1-(4,5,6,7-tetrahydro-2H-indazol-3-ylcarbonyl)piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)c1[nH]nc2c1CCCC2

STK583575
Synonyms: 2'-hydroxy-13-methyl-1'-(2-phenylethyl)-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Smiles: OC1=NC(=O)C2(C(=O)N1CCc1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C

STK849978
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1ncn2

STK583580
Synonyms: (1Z)-1-[(2Z)-(4-phenyl-1,3-thiazol-2(3H)-ylidene)hydrazinylidene]-1H-isoindol-3-amine
Smiles: NC1=N/C(=N\N=c\2/scc([nH]2)c2ccccc2)/c2c1cccc2

STK849979
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2F)N=C(CC1c1ccc(c(c1)OC)OC)O

STK583592
Synonyms: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK583596
Synonyms: 4-tert-butyl-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)n2c(n1)ncn2

STK583597
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1)C1CCS(=O)(=O)C1

STK583598
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK583600
Synonyms: 2-(2-hydroxypyrimido[1,2-a]benzimidazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1C2CCCCC2C(=O)N1c1cc(O)nc2n1c1ccccc1n2

STK583607
Synonyms: 6-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C

STK583612
Synonyms: 4-imino-2-(3-methoxy-4-propoxyphenyl)-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCCOc1ccc(cc1OC)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK849981
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1C)N

STK849982
Synonyms: 2-methoxyethyl5-[(dimethylcarbamoyl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)N(C)C)C

STK583618
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: OC1=C2C(=NC(=NC2c2cccnc2)Nc2nc3c(s2)cccc3)CC(C1)(C)C

STK583620
Synonyms: 5-({3-[(2-fluorobenzyl)oxy]benzyl}amino)-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2cccc(c2)OCc2ccccc2F)ccc1[NH+]1CCOCC1

STK583625
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK583628
Synonyms: 6,7,10-trimethyl-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)Cc1cccnc1

STK583629
Synonyms: 7-(2,5-dimethylphenyl)-2-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)c1ccccc1C)C

STK583632
Synonyms: 2-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)c1cc(O)n2c(n1)c(c1ccccc1)c(n2)C

STK583634
Synonyms: N-[4-(1H-indol-3-yl)butanoyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CCCc1c[nH]c2c1cccc2

STK583639
Synonyms: 6-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-4H-chromen-4-one
Smiles: CN1CCN(CC1)C(=O)c1cc(=O)c2c(o1)ccc(c2)Cl

STK849988
Synonyms: N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
Smiles: O=C(Cc1coc2c1cc(Cl)c(c2)C)Nc1cccc(c1)C(=O)C

STK583650
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)cc(c2O)C)sc2c1CCCC2

STK583652
Synonyms: N-(furan-2-ylmethyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC2)NCc1ccco1

STK583653
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK583655
Synonyms: (5E)-1-(3-methylphenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\NN2CCCCC2)/C1=O)S

STK583657
Synonyms: 5-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1cc(O)n2c(n1)ncn2

STK583658
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc2c1C(c1ccc(cc1)C(C)C)N(C2=O)Cc1cccnc1)O

STK583659
Synonyms: N-(1,3-benzothiazol-2-yl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1nc2c(s1)cccc2

STK849990
Synonyms: 2-(2-amino-5-phenylpyrimidin-4-yl)-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)ncc1c1ccccc1

STK849991
Synonyms: 1-phenyl-2-(1H-1,2,4-triazol-1-yl)pentan-1-one
Smiles: CCCC(C(=O)c1ccccc1)n1cncn1

STK583662
Synonyms: 3-cyclohexyl-3-[4-(propan-2-yloxy)phenyl]propan-1-amine
Smiles: NCCC(c1ccc(cc1)OC(C)C)C1CCCCC1

STK583664
Synonyms: 2-{ethyl[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CC

STK849992
Synonyms: 3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl2-fluorobenzoate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1ccccc1F

STK583668
Synonyms: 4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl]oxy}benzonitrile
Smiles: N#Cc1ccc(cc1)Oc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK583669
Synonyms: N-ethyl-N-[(2-hydroxyquinolin-4-yl)methyl]-4-methylbenzamide
Smiles: CCN(C(=O)c1ccc(cc1)C)Cc1cc(O)nc2c1cccc2

STK849993
Synonyms: 7-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC

STK583670
Synonyms: 2-(4-methylpiperazin-1-yl)-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(CSc2nnc(s2)C)cc(n1)O

STK583671
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK583674
Synonyms: 4-[3-(trifluoromethyl)-4,5-dihydro-1H-furo[2,3-g]indazol-1-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1nc(c2c1c1ccoc1CC2)C(F)(F)F

STK849994
Synonyms: N-{4-[methyl(phenyl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C

STK583677
Synonyms: 8-[(3,4-dichlorophenyl)sulfonyl]-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Clc1cc(ccc1Cl)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK849995
Synonyms: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C

STK583679
Synonyms: 3-[8,9-diphenyl-2-(pyridin-3-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine
Smiles: CN(CCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)c1cccnc1)c1ccccc1)C

STK583683
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)ncc1c1ccc(cc1)Cl

STK849996
Synonyms: 8-methyl-2,5-dioxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(=O)n3cc(C)ccc3nc2n(c1=O)CC1CCCO1

STK583690
Synonyms: 8-(4-benzylpiperazin-1-yl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)Cc2ccccc2)CCC1

STK849997
Synonyms: propyl4-({7-[(dimethylcarbamoyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N(C)C

STK583693
Synonyms: 6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1c(C)c(c(c2)C)Cl

STK583695
Synonyms: 8-(4-chlorophenyl)-2,10-dimethyl-11-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)C)C

STK583698
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-2-methyl-N-propylpropanamide
Smiles: CCCN(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2

STK583701
Synonyms: propyl4-[(5-{4-[(4-ethenylbenzyl)oxy]-2-hydroxyphenyl}-3-methyl-1H-pyrazol-4-yl)oxy]benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C

STK583706
Synonyms: 3,3,11-trimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(NC2C)cccc3)CC(C1)(C)C

STK583707
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)[4-(morpholin-4-ylsulfonyl)phenyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1

STK583712
Synonyms: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-{5-[4-(propan-2-yl)phenyl]pyrazolidin-3-ylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc(cc2)C(C)C)/C1=O)O

STK583716
Synonyms: 2-(propan-2-yl)pyrimido[1,2-a]benzimidazol-4-ol
Smiles: CC(c1cc(O)n2c(n1)nc1c2cccc1)C

STK583723
Synonyms: 8-amino-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK583734
Synonyms: N-{6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}phenylalanine
Smiles: OC(Cn1c(NC(C(=O)O)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccccc1C

STK583741
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1cc(ccc1O)C1CC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STK583748
Synonyms: 2-methyl-N-{1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinolin-2-yl}propanamide
Smiles: O=C(C(C)C)Nc1c(c2cccc(c2)C(F)(F)F)c(=O)c2c(n1C)cccc2

STK583750
Synonyms:
Smiles: O=C(N1CCC2(CC1)OCCO2)COc1cccc2c1nsn2

STK583751
Synonyms: (6E)-6-{[1-(2,6-dichlorobenzyl)-1H-pyrrol-2-yl]methylidene}-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Cc1on2c(=NC(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)/C2=N)c1

STK583752
Synonyms: (2S)-[({[(2E)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino](phenyl)ethanoicacid
Smiles: COc1cc(OC)ccc1/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](c1ccccc1)C(=O)O

STK583754
Synonyms: 1-(2,4-dichlorophenyl)-3-{4-hydroxy-6-[(pyridin-2-ylsulfanyl)methyl]pyrimidin-2-yl}guanidine
Smiles: Oc1nc(nc(c1)CSc1ccccn1)NC(=N)Nc1ccc(cc1Cl)Cl

STK583755
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK583757
Synonyms: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-methoxypropyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)c(C)cc(c1)C

STK850005
Synonyms: 3-(4-bromophenyl)-8-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1OC)c1ccc(cc1)Br

STK583761
Synonyms: (4E)-2-(2,4-dimethoxyphenyl)-4-[(pyridin-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/Nc2ccccn2)/c2c(C1=O)cccc2

STK583763
Synonyms: 2-[(3-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1cccc(c1)CNc1nn2c(n1)nc(cc2O)C

STK583764
Synonyms: 3-(1H-benzimidazol-2-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Nc1c(c2nc3c([nH]2)cccc3)c2c(n1CCCn1cncc1)nc1c(n2)cccc1

STK850006
Synonyms: 4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol
Smiles: COc1ccc(cc1)c1cnoc1c1ccc(cc1O)O

STK850007
Synonyms: 7-(1H-benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2n1cnc2c1cccc2

STK850008
Synonyms: ethyl(7-hydroxy-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)nc(n2)C

STK850009
Synonyms: 7-[(2-fluorobenzyl)oxy]-3-(3-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1F

STK583774
Synonyms: 9-methoxy-6-[3-(naphthalen-2-yloxy)propyl]-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc2c(c1)cccc2

STK583776
Synonyms: N-[(2Z)-3-(2,5-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1ccc(cc1N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2)OC

STK850012
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)N=C(CC1c1ccc(c(c1)OC)OC)O

STK850013
Synonyms: 2-(2-phenylethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)CCc1ccccc1

STK583782
Synonyms: 2-hydroxy-4-({[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)O)C(=O)O

STL036530
Synonyms: 6,7-dimethyl-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)cc(c(c3)C)C)/[nH]2

STK583787
Synonyms: 3,4-dimethoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK583788
Synonyms: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)O

STK850015
Synonyms: 5,7-dimethyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)oc(cc2=O)C(=O)/N=c\1/[nH]nc(s1)C

STK583798
Synonyms: [4-({(6Z)-4-amino-6-[(3-chloro-4-methylphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)piperazin-1-yl](furan-2-yl)methanone
Smiles: Nc1nc(CN2CCN(CC2)C(=O)c2ccco2)[nH]/c(=N/c2ccc(c(c2)Cl)C)/n1

STK583801
Synonyms: N-(4-{[2-(2-hydroxy-3-methoxyphenyl)quinazolin-4-yl]oxy}phenyl)acetamide
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)NC(=O)C)c2c(n1)cccc2

STK583805
Synonyms: 3-[7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]naphthalen-2-ol
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1cc2ccccc2cc1O

STK583810
Synonyms: 2-[(7-ethoxy-4-methylquinazolin-2-yl)amino]-5,6-dihydropyrimidin-4-ol
Smiles: CCOc1ccc2c(c1)nc(nc2C)NC1=NCCC(=N1)O

STK583811
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)c1[nH]n(c(=O)c1)c1nc2c(s1)cccc2

STK583812
Synonyms:
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1)C(O)C)OC

STK583816
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2H-benzo[h]chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)c1ccccc1cc2

STK850017
Synonyms: ethyl(7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)ncn2

STK583819
Synonyms: 7-methyl-2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-6-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)C/C=C/c2ccccc2)c2c(o1)cc(c(c2)[O-])C

STK583822
Synonyms: (4Z)-4-[2-(1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\1/C=C(Oc2c1cccc2)c1ccc2c(c1)OCO2)c1cccs1

STK850019
Synonyms: 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccco1

STK583824
Synonyms: N-(2-chlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C1)C(C2=O)(C)C)Nc1ccccc1Cl

STK850020
Synonyms: 6,8-dimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)NCCc1ccc(cc1)S(=O)(=O)N

STK583827
Synonyms: ethyl1-[(5-chloro-1H-indol-2-yl)carbonyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK583828
Synonyms: 1-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxoazetidine-2-carboxamide
Smiles: COc1ccc(cc1)C1(CC(=O)N1c1ccc(cc1C)C)C(=O)Nc1ccccc1C

STK583829
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)N=C2C(=C(O)CCC2)C1c1ccco1

STK583833
Synonyms: N-(3,4-difluorophenyl)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(=O)Nc1ccc(c(c1)F)F

STK583841
Synonyms: (1Z)-8-methoxy-4,4,6-trimethyl-1-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: COc1cc2/C(=C\3/SC(=NC3=O)S)/C(=O)N3c2c(c1)C(=CC3(C)C)C

STK850022
Synonyms: 6-benzyl-N-(3-methoxyphenyl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)Nc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C

STK850024
Synonyms: 2-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]-4-(4-fluorophenyl)pyrimidine-5-carbonitrile
Smiles: N#Cc1cnc(nc1c1ccc(cc1)F)/N=c/1\sc2c([nH]1)cccc2

STK850027
Synonyms: 2-methyl-3-phenyl-7-(piperidin-1-yl)-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCCCC2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK583853
Synonyms: {(3aR,4R,4aR,7aS,8R,8aR)-3-[2-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}aceticacid
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)O

STK583859
Synonyms: 10-fluoro-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: CC1CCN(CC1)C(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F

STK583860
Synonyms: 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
Smiles: CC(Cn1cnc2c1c1ccccc1nc2N)C

STK583870
Synonyms: 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-oxo-2H-chromen-6-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)ccc(=O)o2)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK850030
Synonyms: 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
Smiles: Oc1nc(nc2c1CCC2)N1CCN(CC1)c1ccccc1

STK583871
Synonyms: 3-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]propanoicacid
Smiles: OC(=O)CCSc1nc(O)cc(n1)c1ccccc1

STK583874
Synonyms: 2-(4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)Nc1cccnc1

STK583876
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C

STK850031
Synonyms: 3-[2-(3-chlorobenzyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2H-chromen-2-one
Smiles: Clc1cccc(c1)Cc1sc2n(c1)cc(n2)c1cc2ccccc2oc1=O

STK583881
Synonyms: N-({1-[(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenylpiperidin-4-yl}carbonyl)-beta-alanine
Smiles: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCC(CC1)(C(=O)NCCC(=O)O)c1ccccc1

STK583884
Synonyms: 2-({4-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCCN1C(=S)S/C(=C/c2ccccc2)/C1=O

STK583887
Synonyms: 7-(3-chlorobenzyl)-8-[(2,6-dimethylmorpholin-4-yl)methyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CC1CN(CC(O1)C)Cc1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=O)n2C

STK583888
Synonyms: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)c1ccccc1

STK850032
Synonyms: 1-(3-methoxypropyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCCN1CCCC1=O

STK583890
Synonyms: 3-ethoxy-2,5-dimethylphenol
Smiles: CCOc1cc(C)cc(c1C)O

STK583893
Synonyms: methyl1-[(1-benzyl-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK583894
Synonyms: 2-amino-6-hydroxy-8,8-dimethyl-5-(4-methylphenyl)-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C

STK583899
Synonyms: methyl4-[(3-{4-[(3-chlorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK583901
Synonyms: (4Z)-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STK583904
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(CCN2C(=O)c3c(C2c2ccc(cc2)C)c([nH]n3)c2cc(Cl)c(cc2O)C)ccc1OC

STK850034
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]prop-2-enamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)/C=C/c1ccc3c(c1)OCO3)/[nH]2

STK583915
Synonyms: 10-methyl-2,8-diphenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccccc1)c1ccccc1

STK850038
Synonyms: N-(3-methoxyphenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK583918
Synonyms: methyl4-({7-[(4-fluorobenzyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1)F

STK850039
Synonyms: (4Z)-N-(furan-2-ylmethyl)-4-(hydroxyimino)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CCCc2c1c(C)c(o2)C(=O)NCc1ccco1

STK583919
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C

STK583921
Synonyms: 1-[(4-methylpiperidin-1-yl)methyl]-3H-benzo[f]chromen-3-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1c1ccccc1cc2

STK583922
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]benzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccccc2)n(nc(c1=O)C)c1ccc(cc1)C

STK583923
Synonyms: 8-{(E)-[2-(2,4,6-trichlorophenyl)hydrazinylidene]methyl}-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7-ol
Smiles: Clc1cc(Cl)c(c(c1)Cl)N/N=C/c1cc2cc3OCCOc3cc2nc1O

STK583926
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583929
Synonyms: 8-[4-(4-bromobenzyl)piperazin-1-yl]-7-ethyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)Br

STK850041
Synonyms: 6-chloro-4-[(4-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Smiles: CC1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK850042
Synonyms: phenyl(1,1-dioxidotetrahydrothiophen-3-yl)carbamate
Smiles: O=C(Oc1ccccc1)NC1CCS(=O)(=O)C1

STK583932
Synonyms: (6Z)-6-{[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Cc1on2c(=NC(=O)/C(=C\c3cc(n(c3C)Cc3ccco3)C)/C2=N)c1

STK850043
Synonyms: methyl[7-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: COC(=O)Cc1cc(O)n2c(n1)nc(n2)C(F)(F)F

STK583944
Synonyms: N-[4-(acetylamino)phenyl]-2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1N)c1cc([nH]n1)c1ccc(cc1)F

STK583945
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Br

STK583946
Synonyms: 8-benzyl-5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1

STK583948
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: CCOc1cccc(c1O)/C=N/NC(=O)c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1

STK583949
Synonyms: (4E)-2-(2-chlorophenyl)-4-[4-(propan-2-yloxy)benzylidene]-4H-imidazol-5-ol
Smiles: CC(Oc1ccc(cc1)/C=C\1/N=C(N=C1O)c1ccccc1Cl)C

STK583951
Synonyms: 8,10-dichloro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylicacid
Smiles: Clc1cc(Cl)c2c(c1)C1C(C(=O)O2)C(Sc2c1sc(=O)[nH]2)C(=O)O

STK583953
Synonyms: 6-chloro-4-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK583955
Synonyms: 1-amino-2-[(2-hydroxyethyl)amino]-4-(propan-2-ylamino)anthracene-9,10-dione
Smiles: OCCNc1cc(NC(C)C)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK583958
Synonyms: 2-(2-chlorobenzyl)-1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK583962
Synonyms: methyl[2-(4-chlorophenyl)-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)c1ccc(cc1)Cl

STK583964
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(C)C)c(O)nc(=O)n2C

STK850048
Synonyms: 8,10-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(NCc2ccccn2)n2c(n1)c1c(C)cc(nc1n2)C

STK583969
Synonyms: [(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: COc1ccc(cc1)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1C)C

STK583970
Synonyms: 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-fluorobenzyl)-1,2-dihydro-3H-pyrrol-3-one
Smiles: Fc1ccccc1CN1CC(=O)C(=C1N)c1nc2c([nH]1)cccc2

STK583971
Synonyms: 5-(furan-2-ylmethyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK583972
Synonyms: 3-[(7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Smiles: OCCCNc1ncnc2c1c1CCN(Cc1s2)Cc1ccccc1

STK583975
Synonyms: (4E)-1-butyl-5-(4-chlorophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK583976
Synonyms: 6-(butan-2-yl)-1-(4-methoxyphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)OC)S)C

STK583977
Synonyms: 6-hydroxy-1,3-dimethyl-5-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}pyrimidine-2,4(1H,3H)-dione
Smiles: CC(c1ccc(cc1)/C=C/C(=O)c1c(O)n(C)c(=O)n(c1=O)C)C

STK850049
Synonyms: 5-methyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCCc1ccccc1

STK583982
Synonyms: N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-tryptophan
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

STK583984
Synonyms: 6-amino-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidin-2(1H)-one
Smiles: COc1ccccc1CCn1c(N)cc(nc1=O)O

STK850050
Synonyms: 2-{4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1Cl)C

STK583985
Synonyms: 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxybenzyl)-N-methylacetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)N(Cc1ccccc1OC)C

STK583986
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK583987
Synonyms: 12-(furan-2-yl)-9,9-dimethyl-2-(phenoxymethyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)COc1ccccc1

STK583988
Synonyms: 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccc3c(c2)OCO3)ccc1[NH+]1CCOCC1

STK583990
Synonyms: 1-{5-methyl-1-[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}ethanone
Smiles: Cc1nc(cc(n1)n1ncc(c1C)C(=O)C)N1CCN(CC1)c1ccccc1

STK850052
Synonyms: 2-(3,4-dimethoxyphenyl)-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1C

STK583999
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)F)C

STK584001
Synonyms: (4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCc1ccccn1

STK584005
Synonyms: 6-[2-(2-chlorophenoxy)ethyl]-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1Cl

STK584007
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)cc1c(c2)CCC1

STK850055
Synonyms: 4-[4-(phenylamino)phenyl]-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc(cc1)Nc1ccccc1)c1cccnc1

STK850057
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[3-(propan-2-yloxy)propyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1ccccc1O

STK850058
Synonyms: N-[4-(acetylamino)phenyl]-6-ethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)NC(=O)C

STK584011
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccccc1c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)F

STK584012
Synonyms: 2-(5-chloro-2-methoxyphenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccccc2)CCC1)Cl

STK584013
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK584015
Synonyms: 2-{(2Z)-4-hydroxy-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CC1S/C(=N\N=C\c2ccc(c(c2)OC)O)/N=C1O

STK850059
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)C(c1ccccc1)c1ccccc1

STK584017
Synonyms: (2E)-2-[(4-chlorophenyl)imino]-5-(2-nitrobenzyl)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Clc1ccc(cc1)/N=C/1\N=C(C(S1)Cc1ccccc1[N+](=O)[O-])O

STK584023
Synonyms: 1-(1-hydroxy-3,3,11-trimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)ethanone
Smiles: CC(=O)N1C(C)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STK584025
Synonyms: 2-ethyl-8-methoxy-3-(4-methoxybenzyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)Cn1c(CC)nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC

STK584026
Synonyms: 12-(furan-2-yl)-2-(4-methoxybenzyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccc(cc1)Cc1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O

STK584028
Synonyms: (2-bromonaphtho[2,1-b]furan-1-yl)aceticacid
Smiles: OC(=O)Cc1c(Br)oc2c1c1ccccc1cc2

STK584030
Synonyms:
Smiles: CCC([C@H](C(=O)O)NC(=O)Nc1ccccc1Cl)C

STK584033
Synonyms: (5Z)-5-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: COc1ccc(c(c1)N/C(=C\1/C(=NC(=NC1=O)O)O)/C)OC

STK584040
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-6,7-dimethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1ccc(c2C)C)C

STK584042
Synonyms: {(5S)-5-[(4-acetylphenyl)carbamoyl]-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1cc(ccc1OCC(=O)N)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C

STK850062
Synonyms: 5-ethoxy-2-(5-phenylpyrimidin-4-yl)phenol
Smiles: CCOc1ccc(c(c1)O)c1ncncc1c1ccccc1

STK584044
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C(F)(F)F

STK584050
Synonyms: 5-(2-hydroxy-4,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccccc1C(F)(F)F

STK584056
Synonyms: 8-(2-chlorophenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1Cl)C

STK584057
Synonyms: 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CN(CCn1c2sc3c(c2c(=O)n(c1=O)C1CCCCC1)CCCCC3)C

STK584058
Synonyms: N-[4-(1H-indol-3-yl)butanoyl]threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CCCc1c[nH]c2c1cccc2

STK850064
Synonyms: 5,6-dimethyl-3-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nc2n(c(c1C)NCCc1ccccc1)ncc2c1ccccc1

STK584062
Synonyms: 2-(3-methylphenyl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1cccc(c1)C

STK584067
Synonyms: 2-chloro-5-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1ccc2c(n1)cccc2

STK584073
Synonyms: 2-methyl-N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]propanamide
Smiles: O=C(C(C)C)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK584074
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one
Smiles: O=C(N1CCC2(CC1)NCCc1c2[nH]cn1)/C=C/c1ccc2c(c1)OCO2

STK584077
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)N1CCN(CC1)c1ccccn1

STK584078
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thiophene-2-carboxamide
Smiles: Oc1cc(NC(=O)c2cccs2)n2c(n1)nc(n2)Cc1ccccc1

STK584080
Synonyms: 6-bromo-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)ccc(c3)Br)/s1

STK584087
Synonyms: (5-nitro-1H-pyrazol-3-yl)(thiomorpholin-4-yl)methanone
Smiles: O=C(c1cc([nH]n1)[N+](=O)[O-])N1CCSCC1

STK584090
Synonyms: 6-amino-4-hydroxy-1-methyl-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)n(c(c1Sc1nnnn1c1ccccc1)N)C

STK584091
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK584092
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK584094
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(4-methylbenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)C)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK584097
Synonyms: 4-{[butyl(methyl)amino]methyl}-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
Smiles: CCCCN(Cc1cc(=O)oc2c1cc1CCCCc1c2)C

STK584098
Synonyms: N'-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1ncc2c1ccccc1)c1ccccc1)C

STK584099
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-6-methyl-2-(4-methylbenzyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccc(cc2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK584100
Synonyms: N-cyclopentyl-1-(4-methoxyphenyl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)CC1(/C=C/c1ccccc1)C(=O)NC1CCCC1

STK850074
Synonyms: 1,7-dimethyl-2-(piperidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1CCCCC1)C

STK584112
Synonyms: N-(2-chlorophenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccccc1Cl

STK584113
Synonyms: 2-benzyl-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1O)Br)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK584114
Synonyms: 6-hydroxy-3-(2-methoxyethyl)-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COCCN1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK584120
Synonyms: 5-hydroxy-2-({[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc(cc1C(=O)O)O

STK584125
Synonyms: 4-[(4-benzylpiperidin-1-yl)methyl]-6-ethyl-2H-chromen-2-one
Smiles: CCc1ccc2c(c1)c(CN1CCC(CC1)Cc1ccccc1)cc(=O)o2

STK584126
Synonyms: 7-chloro-2-(2-hydroxyethyl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OC)c(=O)c1c(o2)ccc(c1)Cl

STK584133
Synonyms: (3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C12CC3CC(C1)CC(C2)(C3)Cl

STK584136
Synonyms: 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-3-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1C

STK584140
Synonyms: 9-methyl-2-phenyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1

STK584141
Synonyms: 6-(4-ethoxybenzyl)-7-methyl-6H-indolo[2,3-b]quinoxaline
Smiles: CCOc1ccc(cc1)Cn1c2c(C)cccc2c2c1nc1ccccc1n2

STK584142
Synonyms: 10-methyl-2-(2-methylphenyl)-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK584143
Synonyms: methylN-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CC(=Nc2c1cccc2)O)C

STK584144
Synonyms: 4-fluoro-N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccco1

STK584145
Synonyms: (2-bromophenyl)(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccccc1Br

STK584149
Synonyms: (2R)-({N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl}amino)(phenyl)ethanoicacid
Smiles: OC1=Nc2ccccc2N(C1)C(=O)N[C@H](C(=O)N[C@H](c1ccccc1)C(=O)O)C(C)C

STK584150
Synonyms: N-butyl-4-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK584152
Synonyms: (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-6-(benzyloxy)-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/Oc2c1ccc(c2)OCc1ccccc1

STK850082
Synonyms: N-(4-fluorobenzyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)F

STK584155
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK584157
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK850084
Synonyms: [(2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

STK584166
Synonyms: 7-hydrazinyl-2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidine
Smiles: NNc1cc(nc2n1nc(c2c1ccccc1)C)c1ccccc1

STK584167
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCOc1cc(ccc1OCCC(C)C)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

STK850085
Synonyms: N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1

STK584171
Synonyms: [4-(difluoromethoxy)-3-ethoxyphenyl](7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Smiles: CCOc1cc(ccc1OC(F)F)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

STK584172
Synonyms: {(5S)-5-(cyclohexylcarbamoyl)-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: O=C([C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O)NC1CCCCC1

STK584175
Synonyms: 4-hydroxy-1,6,7-trimethyl-8-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)CCN1CCOCC1)C

STK850087
Synonyms: 2-[5-(2-bromophenoxy)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1ncncc1Oc1ccccc1Br

STK850088
Synonyms: (2Z)-2-(3-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yldimethylcarbamate
Smiles: Cc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)N(C)C

STK584181
Synonyms: 6-methyl-15H-benzo[6',7']chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-15-one
Smiles: O=c1c2cc3ccccc3cc2oc2c1c1nc3c(n1c(n2)C)cccc3

STK584182
Synonyms: 2-[(2-hydroxyethyl)amino]-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3

STK850089
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCc1cccnc1

STK584183
Synonyms: 7-chloro-1-(4-fluorophenyl)-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK850090
Synonyms: 1-benzyl-7-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCCCN1CCOCC1)Cc1ccccc1

STK584187
Synonyms: 6-chloro-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1nc2c(c3ccccc3)c(nn2c(c1Cl)O)C

STK850091
Synonyms: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-ylfuran-2-carboxylate
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2)OC(=O)c1ccco1

STK584193
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-methylphenyl)-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Cc1cccc(c1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)(C)C

STK584194
Synonyms: 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-(4-methylbenzyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK584199
Synonyms: 2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxy}-N,N-dimethylethanamine
Smiles: CN(CCOc1nc(nc(c1)n1nc(cc1C)C)c1ccccc1)C

STK584201
Synonyms: 6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)C

STK584204
Synonyms: 3-[methoxy(phenyl)methyl]quinoxalin-2-ol
Smiles: COC(c1nc2ccccc2nc1O)c1ccccc1

STK850092
Synonyms: 4-(2-amino-5-phenylpyrimidin-4-yl)benzene-1,3-diol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)O)c1ccccc1

STK850093
Synonyms: 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK584209
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(furan-2-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK584211
Synonyms: 1-(4-methoxyphenyl)-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)N1CCCCC1)Cc1ccccc1

STK850095
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCCc1ccccc1

STK850096
Synonyms: methyl{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C

STK584218
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)c1ccccc1

STK584226
Synonyms: 12-(4-methoxyphenyl)-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc(nn1cn2)CO/N=C/c1ccccc1)O

STK584233
Synonyms: 9-(4-benzylpiperidin-1-yl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCC(CC2)Cc2ccccc2)CCCC1

STK850099
Synonyms: 2-(2-bromonaphtho[2,1-b]furan-1-yl)acetamide
Smiles: NC(=O)Cc1c(Br)oc2c1c1ccccc1cc2

STK584241
Synonyms: (1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-4-[4-(morpholin-4-ylsulfonyl)phenyl]butan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK584242
Synonyms: 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
Smiles: CN(C(c1ccco1)CNC(=O)c1sc2c(c1Cl)ccc(c2)C)C

STK584243
Synonyms: 2-[(naphthalen-1-ylmethyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1cccc2c1cccc2

STK850100
Synonyms: 6-methoxy-8-[(E)-2-nitroethenyl]-3,4-dihydro-2H-chromene
Smiles: COc1cc(/C=C/[N+](=O)[O-])c2c(c1)CCCO2

STK850101
Synonyms: N-(4-ethoxyphenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: CCOc1ccc(cc1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK584249
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-butyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2

STK584255
Synonyms: N-(5-chloro-2-cyanophenyl)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1cc(Cl)ccc1C#N

STK850104
Synonyms: N-butyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCCNc1cc(C)nc2n1ncc2c1ccccc1OC

STK584257
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK584264
Synonyms: N-[(2-methylcyclohexyl)carbamoyl]-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)NC1CCCCC1C

STK584269
Synonyms: 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CN1CCN(CC1)c1nc(C)nc2c1oc1c2cc(cc1)Cl

STK584270
Synonyms: (10aS)-2-(4-fluorophenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK584273
Synonyms: 1-(2,6-dichlorobenzyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
Smiles: Clc1cccc(c1Cn1cc(C)c(nc1=O)O)Cl

STK584279
Synonyms: N-benzyl-6-chloro-N-(4-ethoxyphenyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Cc1ccccc1

STK584282
Synonyms: 4-(2-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C

STK850107
Synonyms: 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-hydroxy-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2C)C)N=C(CC1c1ccco1)O

STK850108
Synonyms: 8-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(cc1)F

STK584286
Synonyms: 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol
Smiles: Oc1c2CCCCc2nc2n1nc(n2)C(F)(F)F

STK850109
Synonyms: (2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: Brc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)/C2=O

STK584291
Synonyms: 7-(4-benzylpiperazin-1-yl)-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1nc2n(c(c1C)N1CCN(CC1)Cc1ccccc1)ncc2c1ccccc1

STK584293
Synonyms: 1-(1-{6-[(4-fluorophenyl)amino]-2-methylpyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: Fc1ccc(cc1)Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK584294
Synonyms: 4-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1cc(=O)oc2c1ccc(c2C)[O-]

STK850110
Synonyms: methylN-{[1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl]carbonyl}glycinate
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC(=O)OC

STK584297
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1cc(Cl)c(cc1O)C