FULL DB

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

STK540093
Synonyms: 6-hydroxy-5-[(4-methylpiperazin-1-yl)carbonyl]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Smiles: CN1CCN(CC1)C(=O)c1c(O)c2cccc3c2n(c1=O)CC3

STK540094
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK540095
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccccc1O

STK540097
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-cyclopropylquinoline-4-carbohydrazide
Smiles: Brc1cccc(c1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540098
Synonyms: (2E)-N-[(4-benzylpiperazin-1-yl)carbonothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)N1CCN(CC1)Cc1ccccc1

STK540100
Synonyms: 3-(4-methylphenyl)-2-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)C)SC(C(=O)N1CCOCC1)C)C

STK540101
Synonyms: 2,2,5-trimethyl-8-(pentylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540102
Synonyms: 3-amino-N-[2-(2-chlorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccccc1Cl

STK540103
Synonyms: (5E)-2-[4-(naphthalen-1-yl)piperazin-1-yl]-5-(2-propoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1cccc2c1cccc2

STK540104
Synonyms: 3-methyl-8-[(4-methylbenzyl)sulfanyl]-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

STK540105
Synonyms: methyl3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cc(c(c2)OC)OC

STK540106
Synonyms: tetraethyl1,6-bis(acetylamino)hexane-1,1,6,6-tetracarboxylate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

STK540107
Synonyms: N'-[(E)-(4-methoxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)Cn1ncnc1

STK540108
Synonyms: 9-bromo-5-(furan-2-yl)-2-[4-(prop-2-en-1-yloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: C=CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccco1

STK540109
Synonyms: 4,4'-{ethane-1,2-diylbis[nitrilo(E)methylylidene]}bis(2,6-di-tert-butylphenol)
Smiles: CC(c1cc(/C=N/CC/N=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C

STK540110
Synonyms: N'-[(E)-(3-hydroxyphenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cccc(c1)O

STK540111
Synonyms: N'-[(3E)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-(3,4-dimethoxyphenyl)acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)N/N=C/1\c2cc(Br)ccc2N(C1=O)CN1CCCCC1c1cccnc1

STK540112
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N\NC(=O)Cn1nnc(n1)N)/C

STK540113
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540114
Synonyms: 5-[4-(benzyloxy)phenyl]-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cc(ccc1OC)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)OCc1ccccc1

STK540117
Synonyms: 4,6-dimethyl-2-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}pyrimidine
Smiles: Cc1cc(C)nc(n1)N/N=C/c1ccc(cc1)C(C)C

STK540118
Synonyms: 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540119
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-methoxyphenyl)carbonyl]-8-phenyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1)C=Cc1c2cccc1

STK540120
Synonyms: 8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK540121
Synonyms: 1-[bis(pentafluorophenyl)phosphoryl]cyclohexanol
Smiles: OC1(CCCCC1)P(=O)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F

STK540126
Synonyms: 3-(3-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(S)nc2c(c1=O)c1CCCCc1s2

STK540127
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-iodophenyl)heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1I

STK540128
Synonyms: 3-amino-6-(thiophen-2-yl)-N-[3-(trifluoromethyl)benzyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)NCc1cccc(c1)C(F)(F)F

STK540129
Synonyms: 10-methyl-N-(3-methylphenyl)-8-phenyl-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C)nc1c2cccc1

STK540131
Synonyms: 8-[(4-fluorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)[nH]c(=O)n2C

STK540132
Synonyms: 1-(4-methylphenyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: CC(Nc1ncnc2c1cnn2c1ccc(cc1)C)C

STK540133
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C)CC

STK540134
Synonyms: (6aS,6bR,9aS,10R)-10-acetyl-8-(2,4-dimethylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C

STK540136
Synonyms: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK540137
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Cl)ccc1O

STK540138
Synonyms: prop-2-en-1-ylN'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]carbamohydrazonothioate
Smiles: [O-][N+](=O)c1cc(/C=N/N=C(\SCC=C)/N)c(cc1)O

STK540140
Synonyms: methyl2-{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C)C

STK540141
Synonyms: methyl2-[11-(3,5-dimethylphenyl)-2-ethyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c2CCCCc2sc1n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1cc(C)cc(c1)C

STK540143
Synonyms: N-butyl-N'-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)ethanediamide
Smiles: CCCCNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2

STK540144
Synonyms: 3-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1O

STK540145
Synonyms: 2-(2-methyl-4-oxoquinolin-1(4H)-yl)-N-(4-methylphenyl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccc(cc1)C

STK540146
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccc1Cl

STK540148
Synonyms: 3-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc(c(c1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC)OC

STK540149
Synonyms: 8-chloro-3-{[(E)-(2-methoxyphenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccccc1/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540150
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnnc2N)cc(c1OC)OC

STK540151
Synonyms: 7,7-dimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2

STK540152
Synonyms: 11-benzyl-3-(furan-2-ylmethyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1nc2n(Cc3ccccc3)c3c(c2c(=O)n1Cc1ccco1)nc1c(n3)cccc1

STK540154
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(4-methoxyphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Br)C=CC(=C1)C(=O)c1ccccc1

STK540155
Synonyms: 2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)CCC

STK540156
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(3,4-dimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STK540157
Synonyms: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1Z)-1-phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1)/c1ccccc1

STK540159
Synonyms: 2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F)Nc1c(=O)n(n(c1C)C)c1ccccc1

STK540160
Synonyms: 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC(C3)C)ccc1OC

STK540161
Synonyms: 5-(3,4-dimethoxyphenyl)-7-methoxy-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cccc2c1OC(c1ccc(c(c1)OC)OC)N1C2CC(=N1)c1ccccc1

STK540162
Synonyms: 3-amino-4,6-diphenyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F

STK540163
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1-phenylethyl)heptanamide
Smiles: O=C(NC(c1ccccc1)C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540165
Synonyms: N-{[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl}-3,5-dinitrobenzamide
Smiles: COc1cc(ccc1OC)C1(CCCCC1)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK540166
Synonyms: 7,9-dichloro-2-(4-methoxyphenyl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1ccc(cc1)C)Cl

STK540170
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK540171
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinecarbothioamide
Smiles: COc1cccc(c1O)/C=N/NC(=S)Nc1ccc(cc1Cl)Cl

STK540172
Synonyms: methyl5-chloro-3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)cc(cc2)Cl

STK540173
Synonyms: 1,3-dimethyl-7-(prop-2-en-1-yl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCC=C)nc2c1c(=O)n(c(=O)n2C)C

STK540174
Synonyms: 6-[9-bromo-2-(pyridin-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccn1)Br

STK540175
Synonyms: (5E)-5-[4-(diethylamino)benzylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCN(c1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])CC

STK540178
Synonyms: 2,2,3,3,4,4,4-heptafluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

STK540179
Synonyms: (6aR,6bS,9aR,10S)-10-acetyl-8-(2,4-dichlorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C

STK540180
Synonyms: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)C)O

STK540181
Synonyms: 1-ethyl-6-fluoro-7-(4-nonanoylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540182
Synonyms: 1,6-bis(4-butoxyphenyl)-2,5-bis[(ethylamino)methyl]hexane-1,6-dione
Smiles: CCNCC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CNCC

STK540184
Synonyms: 4-hydroxy-N-{2-[(2-hydroxyethyl)amino]ethyl}-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)NCCNCCO)c(c2c1cccc2)O

STK540185
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(Z)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C\c1ccccc1OCc1ccc(cc1)Cl

STK540186
Synonyms: N-(3,4-dichlorophenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)Cl)c1ccccc1

STK540188
Synonyms: N-{1-benzyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}naphthalene-2-sulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc3c(c2)cccc3)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK540189
Synonyms: 8-ethyl-5-oxo-2-{4-[(thiophen-2-ylcarbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1cccs1

STK540190
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br

STK540191
Synonyms: 2-(5-{(E)-[(8-chloro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540192
Synonyms: (2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
Smiles: O=C1CS/C(=N\N=C\c2ccco2)/N1c1ccccc1

STK540193
Synonyms: 7,8-dimethoxy-3-{[(E)-(4-methoxyphenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK540195
Synonyms: triethyl1,3,5-triazine-2,4,6-tricarboxylate
Smiles: CCOC(=O)c1nc(nc(n1)C(=O)OCC)C(=O)OCC

STK540196
Synonyms: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Cl

STK540197
Synonyms: 4-benzyl-1-(benzylsulfanyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n(c1=O)Cc1ccccc1)C

STK540198
Synonyms: 2-methyl-N'-[(2E)-1-phenylbutan-2-ylidene]quinoline-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1cc(C)nc2c1cccc2)/Cc1ccccc1

STK540199
Synonyms: (1'R,3R,3'R)-1',3'-bis[(4-bromophenyl)carbonyl]-7'-chloro-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Brc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)ccc(c3)Cl

STK540203
Synonyms: 3-{[(E)-(2,4-dibromo-6-hydroxyphenyl)methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1c(O)cc(cc1Br)Br

STK540205
Synonyms: 4-benzyl-1-(butylsulfanyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540206
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-(phenylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1ccccc1

STK540208
Synonyms: 3-methyl-7-octyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK540209
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: Brc1cc(/C=N/NC(=O)Cn2nnnc2N)c(c(c1)Br)O

STK540210
Synonyms: (3aR,4S,9aR,9bS)-2-(4-bromophenyl)-4-[(4-bromophenyl)carbonyl]-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)c1ccccc1

STK540211
Synonyms: 8-chloro-3-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc(ccc1O)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540212
Synonyms: methyl2-{[(2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxalin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK540213
Synonyms: 3-(naphthalen-2-yl)-2-pentylquinazolin-4(3H)-one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK540215
Synonyms: 3,9-dimethyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(C)nn2)CCN(C3)C

STK540218
Synonyms: 1-(2-methyl-1H-indol-3-yl)-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethanone
Smiles: O=C(c1c(C)[nH]c2c1cccc2)CN1CCN(CC1)C/C=C/c1ccccc1

STK540219
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1

STK540221
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-(4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK540222
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1O)O

STK540225
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)C)\C

STK540226
Synonyms: methyl5-chloro-3-[(3-cyclopentylpropanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)Cl

STK540227
Synonyms: N'-[(E)-(3-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)Cl

STK540228
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCOc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540230
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)COc1ccccc1C

STK540231
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)[N+](=O)[O-]

STK540232
Synonyms: 4-iodo-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540233
Synonyms: (2Z)-N-(2,4-dichlorophenyl)-2-[1-(naphthalen-2-yl)ethylidene]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C(\c1ccc2c(c1)cccc2)/C

STK540234
Synonyms: (6aS,6bR,9aS,10R)-10-acetyl-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C

STK540235
Synonyms: 3-bromo-N-{4-[(4-methoxyphenyl)carbamoyl]phenyl}-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK540236
Synonyms: (9E)-9-(4-bromobenzylidene)-5-(4-bromophenyl)-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)F)/C(=C/c1ccc(cc1)Br)/CCC2

STK540238
Synonyms: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(1E,2E)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}acetohydrazide
Smiles: CC(c1ccc(cc1)/C=C(/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1)\C)C

STK540241
Synonyms: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccccc1Cl

STK540242
Synonyms: ethyl(3,3-dimethylbut-1-yn-1-yl)(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phosphinate
Smiles: CCOP(=O)(C(C(F)(F)F)(c1ccccc1)O)C#CC(C)(C)C

STK540243
Synonyms: 3-amino-N-(2,4-dimethoxyphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(c(c1)OC)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540244
Synonyms: 2,2,10-trimethyl-5-phenyl-1,4-dihydro-2H,8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-8-one
Smiles: Cc1oc(=O)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)c1ccccc1

STK540245
Synonyms: (4-bromophenyl)[(1R,2S,3S,3aS)-2-phenyl-3-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: Brc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]([C@H]2N1c1ccccc1C=C2)C(=O)c1ccccc1

STK540246
Synonyms: 3-{[(E)-(4-butoxyphenyl)methylidene]amino}-8-chloro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540247
Synonyms: 2-cyclopropyl-N'-[(E)-furan-2-ylmethylidene]quinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccco1

STK540248
Synonyms: (9E)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccc(cc1)OC)/CCC2

STK540250
Synonyms: N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]-2-methylquinoline-4-carbohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)c1cc(C)nc2c1cccc2)/C

STK540251
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK540252
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(2,4-dihydroxybenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccc(cc1O)O

STK540253
Synonyms: N-(2,3-dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1cccc(c1C)C

STK540254
Synonyms: (9E)-9-(4-bromobenzylidene)-5-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)Br)/CCC2

STK540256
Synonyms: N-(4-chlorophenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK540257
Synonyms: N'-[(E)-(2-fluorophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccccc1F

STK540258
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/C=C/c1ccccc1

STK540261
Synonyms: 2-{(2E)-2-[3-methoxy-4-(propan-2-yloxy)benzylidene]hydrazinyl}-4,6-dimethylpyrimidine
Smiles: COc1cc(/C=N/Nc2nc(C)cc(n2)C)ccc1OC(C)C

STK540262
Synonyms: N-(3,4-dichlorophenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK540263
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1cccc(c1)SC

STK540264
Synonyms: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK540266
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: COc1ccc(c(c1)OC)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK540267
Synonyms: 2,7-bis[(diethylamino)methyl]-1,8-bis(4-methoxyphenyl)octane-1,8-dione
Smiles: CCN(CC(C(=O)c1ccc(cc1)OC)CCCCC(C(=O)c1ccc(cc1)OC)CN(CC)CC)CC

STK540268
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Cl)ccc1OC(C)C

STK540269
Synonyms: 11-(4-ethoxyphenyl)-2-ethyl-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCOc1ccc(cc1)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK540270
Synonyms: (5E)-5-(4-tert-butylbenzylidene)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK540271
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1scc(n1)c1cccc2c1cccc2

STK540272
Synonyms: methyl5,6-dimethoxy-3-[(phenoxycarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Oc1ccccc1)cc(c(c2)OC)OC

STK540273
Synonyms: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccc2c(c1)OCO2

STK540274
Synonyms: 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1cccc(c1)C

STK540275
Synonyms: 8-bromo-7-(2-chloro-6-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C)Cl

STK540276
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)Br

STK540277
Synonyms: 3-(4-bromophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-3,4-dihydroquinazoline-2-carbohydrazide
Smiles: Brc1ccc(cc1)n1c(nc2c(c1=O)cccc2)C(=O)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540278
Synonyms: methyl5-chloro-3-{[(4-chlorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)Cl)cc(cc2)Cl

STK540280
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1cn[nH]c1c1ccccc1

STK540281
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(morpholin-4-yl)nonan-1-one
Smiles: O=C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N1CCOCC1

STK540282
Synonyms: dipropan-2-yl3-methyl-5-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Smiles: CC(OC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc(c1C)C(=O)OC(C)C)C

STK540283
Synonyms: 2-{(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-4,6-dimethylpyrimidine
Smiles: COc1ccc(cc1)/C(=N\Nc1nc(C)cc(n1)C)/C

STK540284
Synonyms: (9E)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: FC(Oc1ccc(cc1)/C=C/1\CCCC2=C1N=c1scc(n1C2c1ccc(cc1)OC(F)F)c1ccccc1)F

STK540285
Synonyms: 9-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methyl-1-phenylpropyl)nonanamide
Smiles: O=C(NC(c1ccccc1)C(C)C)CCCCCCCCN1C(=O)c2c(C1=O)cccc2

STK540286
Synonyms: tert-butyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)F

STK540287
Synonyms: 11-cyclohexyl-3-(furan-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2C1CCCCC1)Cc1ccco1

STK540288
Synonyms: N'-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c1CCCc1s2)C

STK540289
Synonyms: (2E)-3-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}prop-2-enoicacid
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)/C=C/C(=O)O

STK540290
Synonyms: {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK540292
Synonyms: 2-methyl-N'-[(E)-(3-phenoxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1cccc(c1)Oc1ccccc1

STK540293
Synonyms: N-(4-ethylphenyl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nc(O)cc(n1)CSc1ccc(cc1)C

STK540294
Synonyms: 2-{[4-(4-methoxyphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-phenylpropanamide
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SC(C(=O)Nc1ccccc1)C

STK540295
Synonyms: 2-[(pyridin-3-ylmethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1ccc(nc1SCc1cccnc1)c1cccs1

STK540298
Synonyms: 7-dodecyl-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCn1c(SC(C(=O)C)C)nc2c1c(=O)[nH]c(=O)n2C

STK540301
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCCC(C1)(C)C)C

STK540302
Synonyms: ethyl3-{[(4-chlorophenyl)carbonyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)Cl)cc(cc2)F

STK540303
Synonyms: 10-methyl-N-(3-methylphenyl)-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK540304
Synonyms: 2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2H-chromen-4-ol
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1C=C(O)c2c(O1)cccc2

STK540305
Synonyms: N'-[(E)-pyridin-2-ylmethylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccn1

STK540306
Synonyms: ethyl{[3-(3-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC3

STK540307
Synonyms: N-({2-[(4-propoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)thiophene-2-carboxamide
Smiles: CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1

STK540308
Synonyms: 3,6-dibromo-9-[2-(ethenyloxy)ethyl]-9H-carbazole
Smiles: C=COCCn1c2ccc(cc2c2c1ccc(c2)Br)Br

STK540309
Synonyms: 9-bromo-2-(4-ethoxyphenyl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccccc1

STK540310
Synonyms: (6aS,6bR,9aS,10R)-8-(4-butoxyphenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC

STK540311
Synonyms: 9-{3-[(diethylamino)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: CCN(Cc1cc(ccc1OC)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C)CC

STK540312
Synonyms: N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1)/C

STK540313
Synonyms: 1-methyl-3-octyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: CCCCCCCCn1c(=O)c2n3CCSc3nc2n(c1=O)C

STK540314
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-[3-(trifluoromethyl)phenyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK540315
Synonyms: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540316
Synonyms: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: C/C(=C/CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)/Cl

STK540317
Synonyms: (9E)-3-(4-chlorophenyl)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: CC1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccc(cc1)Cl

STK540319
Synonyms: ethyl2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCCC2

STK540321
Synonyms: 4,5-dihydro[1,8,4,5]dithiadiazecino[9,10-b]quinoxaline-3,6(2H,7H)-dione
Smiles: O=C1NNC(=O)CSc2c(SC1)nc1ccccc1n2

STK540322
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540323
Synonyms: 3-{[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2c1ccc(c2)Br

STK540325
Synonyms: methyl2-({3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)sc2c1CCCC2

STK540326
Synonyms: 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)Cc1ccccc1)SCC(=O)c1ccc(cc1)Cl)C

STK540327
Synonyms: 3-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}propyl3,5-dinitrobenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK540328
Synonyms: N-[3-(acetylamino)-1-phenyl-1H-1,2,4-triazol-5-yl]-2,2,2-trichloroacetamide
Smiles: CC(=O)Nc1nn(c(n1)NC(=O)C(Cl)(Cl)Cl)c1ccccc1

STK540329
Synonyms: ethyl{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540331
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK540334
Synonyms: N'-[(E)-(3-phenoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cccc(c1)Oc1ccccc1

STK540337
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(naphthalen-1-yl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)C(=O)c1ccccc1

STK540338
Synonyms: N-(4-methoxyphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK540339
Synonyms: methyl5-bromo-3-{[(4-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)Br

STK540341
Synonyms: ethyl2-{[3-({[4-(acetylamino)phenyl]sulfonyl}amino)quinoxalin-2-yl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)NC(=O)C)sc2c1CCC(C2)c1ccccc1

STK540342
Synonyms: methyl5-methyl-3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cc(OC)c(c(c1)OC)OC)cc(cc2)C

STK540344
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)F

STK540346
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)Br

STK540347
Synonyms: methyl3-{[(4-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cccc2

STK540348
Synonyms: diethyl{[(4-fluorophenyl)amino](phenyl)methyl}phosphonate
Smiles: CCOP(=O)(C(c1ccccc1)Nc1ccc(cc1)F)OCC

STK540349
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK540350
Synonyms: N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccs1)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK540351
Synonyms: 2,6,8-trimethyl-3-(piperidin-1-ylmethyl)quinolin-4-ol
Smiles: Cc1cc(C)c2c(c1)c(O)c(c(n2)C)CN1CCCCC1

STK540352
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: CC1CN(CC(C1)C)CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK540353
Synonyms: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl)Br

STK540354
Synonyms: 3-amino-4-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCc2nc2c1c(N)c(s2)C(=O)Nc1ccccc1C(F)(F)F

STK540355
Synonyms: 2-(2-ethylpiperidin-1-yl)-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: CCC1CCCCN1CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK540356
Synonyms: ethyl4-{[4-(ethoxycarbonyl)phenyl]amino}-8-methylquinoline-3-carboxylate
Smiles: CCOC(=O)c1ccc(cc1)Nc1c(cnc2c1cccc2C)C(=O)OCC

STK540357
Synonyms: 2,2,3,3,4,4,4-heptafluoro-N-(2-iodophenyl)butanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1ccccc1I

STK540358
Synonyms: 2-cyclopropyl-N'-[(E)-phenylmethylidene]quinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccccc1

STK540360
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-8-(phenylcarbonyl)-2-[3-(trifluoromethyl)phenyl]-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1

STK540363
Synonyms: 2-cyclopropyl-N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540364
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-3-chloro-8-(2,4-dimethylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccc(cc1C=C2)Cl)c1ccc(cc1C)C

STK540367
Synonyms: 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpyridin-2-yl)pentanamide
Smiles: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Nc1nccc(c1)C

STK540368
Synonyms: 11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1CCCc2c1c1c(s2)ncn2c1nnc2

STK540370
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-(4-methoxy-2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(c(c1)C)NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540372
Synonyms: 2-cyclopropyl-N'-[(E)-(4-methylphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540373
Synonyms: methyl2-[11-(4-chlorophenyl)-2-ethyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c2CCCCc2sc1n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Cl

STK540374
Synonyms: (5E)-5-(4-hydroxybenzylidene)-3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)/C=N/N1C(=S)S/C(=C/c2ccc(cc2)O)/C1=O

STK540375
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1c(OC)ccc3c1cccc3)C(C(=C2C#N)N)(C#N)C#N

STK540376
Synonyms: (1'R,3R,3'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-1'-[(4-bromophenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2

STK540378
Synonyms: 3-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(=C)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540379
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C)CC

STK540380
Synonyms: methyl{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3

STK540383
Synonyms: 2,7-bis(morpholin-4-ylmethyl)-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione
Smiles: CCCCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)CCCCC(C(=O)c1ccc(cc1)OCCCCC)CN1CCOCC1

STK540385
Synonyms: 2-{(2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-4,6-dimethylpyrimidine
Smiles: CCn1nc(c(c1C)/C=N/Nc1nc(C)cc(n1)C)C

STK540386
Synonyms: methyl4-[(E)-{2-[azepan-1-yl(oxo)acetyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)C(=O)N1CCCCCC1

STK540387
Synonyms: 3-amino-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C#N)c1cccs1

STK540388
Synonyms: ethyl4-ethoxy-5-(2-hydroxyethyl)-1-(4-nitrophenyl)-1,4-dihydro-1,2,4-diazaphosphinine-3-carboxylate4-oxide
Smiles: CCOC(=O)C1=NN(C=C(P1(=O)OCC)CCO)c1ccc(cc1)[N+](=O)[O-]

STK540390
Synonyms: (6aR,6bS,9aR,10S)-10-acetyl-8-(2-methyl-4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C)[N+](=O)[O-]

STK540391
Synonyms: 8-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-4H-1,3-benzodioxine-6-carboxylicacid
Smiles: OC(=O)c1cc(/C=N/n2cnnc2)c2c(c1)COCO2

STK540395
Synonyms: 4-benzyl-7-(propan-2-yl)-1-(propylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540398
Synonyms: methyl5-bromo-3-[(3-cyclopentylpropanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)Br

STK540400
Synonyms: methyl5,6-dimethoxy-3-{[(2-nitrophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1[N+](=O)[O-])cc(c(c2)OC)OC

STK540401
Synonyms: 11-(4-bromophenyl)-N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1

STK540402
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540403
Synonyms: methyl2-({[2-amino-1-(4-butylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK540404
Synonyms: 1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc2c(c1)OCO2

STK540405
Synonyms: 6-ethyl-2-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccccc1

STK540406
Synonyms: N-benzyl-2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Smiles: O=C(C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)C)NCc1ccccc1

STK540407
Synonyms: 4-(4-chlorophenyl)-6-phenyl-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Smiles: N#Cc1c(SCCN2CCCCC2)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK540408
Synonyms: (8R,8aR,11aS,11bS)-8-acetyl-10-(3,5-dichlorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK540409
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br

STK540410
Synonyms: 2,3-dimethoxy-6-[2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)cccc2

STK540411
Synonyms: N-[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]-1H-1,2,4-triazol-1-amine
Smiles: COc1ccc(cc1CSc1ccccn1)/C=N/n1cncn1

STK540412
Synonyms: 2-{4-[(E)-{2-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(s2)cccc3)ccc1OCC(=O)N

STK540413
Synonyms: 3-(pentylsulfanyl)-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540414
Synonyms: N'-[(E)-naphthalen-1-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc2c1cccc2

STK540416
Synonyms: 1,3-dimethyl-8-(piperidin-1-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCC1

STK540418
Synonyms: 8-chloro-3-{[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1cc(/C=N/n2c(=O)[nH]c3c(c2=O)[nH]c2c3cc(cc2)Cl)cc(c1O)OC

STK540419
Synonyms: 4-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccc(cc1)C(=O)O)NC(=O)c1ccncc1

STK540420
Synonyms: 8-(dodecylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCSc1nc2c(n1CC=C)c(=O)[nH]c(=O)n2C

STK540422
Synonyms: (2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540424
Synonyms: (2E)-3-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)/C=C/C(=O)C1CC1

STK540425
Synonyms: 2-bromo-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
Smiles: O=C(c1ccccc1Br)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540426
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(1Z)-1-phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N/NC(=O)CSc1nc2c(s1)cccc2)/c1ccccc1

STK540427
Synonyms: ethyl3-[(E)-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}diazenyl]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)cc(cc2)OC

STK540428
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK540429
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)Br

STK540430
Synonyms: 6-chloro-N,N'-dimethyl-N,N'-dioctadecyl-1,3,5-triazine-2,4-diamine
Smiles: CCCCCCCCCCCCCCCCCCN(c1nc(nc(n1)Cl)N(CCCCCCCCCCCCCCCCCC)C)C

STK540431
Synonyms: 1-butyl-4-hydroxy-N-(4-methoxybenzyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)NCc2ccc(cc2)OC)c(c2c1cccc2)O

STK540432
Synonyms: 6-(butylamino)-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCNc1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK540434
Synonyms: 8-chloro-3-(furan-2-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1ccco1

STK540435
Synonyms: 2-(4-{[(4-bromophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)Br

STK540436
Synonyms: ethyl(1-hydroxycyclohexyl)(pentafluorophenyl)phosphinate
Smiles: CCOP(=O)(C1(O)CCCCC1)c1c(F)c(F)c(c(c1F)F)F

STK540437
Synonyms: 3-{[(E)-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxyphenyl}methylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK540439
Synonyms: (5E)-5-(4-ethoxybenzylidene)-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C

STK540440
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cn[nH]c1c1ccccc1

STK540441
Synonyms: (1'R,3R,3'R,3a'S)-1'-[(4-bromophenyl)carbonyl]-3'-[(3,4-dimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1[C@@H]2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK540442
Synonyms: 3-amino-N-benzyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCc1ccccc1

STK540443
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)Cn1nnnc1N)CC

STK540446
Synonyms: N-phenyl-2-{[11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540447
Synonyms: 3-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]propanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCC(=O)O)C(=O)C(=C1C(=O)c1ccccc1)O

STK540448
Synonyms: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)Cl

STK540449
Synonyms: N'-[(E)-anthracen-9-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1c2ccccc2cc2c1cccc2

STK540450
Synonyms: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: OCC(NC(=O)c1ccc(=O)[nH]n1)(CO)CO

STK540451
Synonyms: (2E)-2-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK540453
Synonyms: 7-dodecyl-3-methyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C

STK540454
Synonyms: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C(\C=C\c1ccccc1)/C

STK540456
Synonyms: N'-[(E)-pyridin-4-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1ccncc1

STK540457
Synonyms: 8-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(N/N=C/c2cccc(c2O)OC)nc2c1c(=O)n(c(=O)n2C)C

STK540458
Synonyms: methyl3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl}amino)-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)cc(c(c2)OC)OC

STK540459
Synonyms: N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CCc1sc2c(c1)c(NCCCN(C)C)ncn2

STK540460
Synonyms: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COc1cc(ccc1OC)C(=O)/C=C\1/C(=O)Nc2c1cccc2

STK540461
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-3-chloro-8-[3-(trifluoromethyl)phenyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2ccc(c1)Cl

STK540462
Synonyms: 11-(4-ethylphenyl)-2-methyl-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(c1ccccc1)C

STK540463
Synonyms: N'-[(E)-(4-nitrophenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540464
Synonyms: (6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N

STK540465
Synonyms: methyl3-{[(3-methoxyphenyl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COc1cccc(c1)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK540466
Synonyms: 2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
Smiles: CN(CC(=O)c1c(C)[nH]c2c1cccc2)CC1OCCO1

STK540468
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540469
Synonyms: 2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)propanamide
Smiles: N#CC1=C(NC(=O)C(Br)C)SC2C1CCC2

STK540470
Synonyms: 3-amino-N-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(c(c1)C)C

STK540471
Synonyms: 8-chloro-3-(2-hydroxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540473
Synonyms: N-(3,4-dichlorophenyl)-2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK540474
Synonyms: ethyl5-methoxy-3-{[(3-methylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(cc2)OC

STK540475
Synonyms: N,N-dimethyl-N'-[2-(4-nitrophenyl)quinazolin-4-yl]ethane-1,2-diamine
Smiles: CN(CCNc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-])C

STK540476
Synonyms: 6-methyl-1,3,4-triphenyl-1,4-dihydro-1,2,4-diazaphosphinine4-sulfide
Smiles: CC1=CP(=S)(c2ccccc2)C(=NN1c1ccccc1)c1ccccc1

STK540477
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-fluorophenyl)heptanamide
Smiles: Fc1cccc(c1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

STK540478
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)Cn1nnnc1N

STK540480
Synonyms: 2'-amino-4-ethyl-7',9'-dimethylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile
Smiles: CCC1CCC2(CC1)C(=C(N)Oc1c2sc2c1c(C)cc(n2)C)C#N

STK540481
Synonyms: 3-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)N(CC)CC

STK540482
Synonyms: 7-ethyl-1,3-dimethyl-8-{(2E)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(N/N=C/C=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK540486
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccncc1

STK540487
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1F)C(C(=C2C#N)N)(C#N)C#N

STK540488
Synonyms: (1'R,3R,3'R)-1',3'-bis[(4-methoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)OC)cccc3

STK540489
Synonyms: N'-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,4-dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNc1ncnc2c1cnn2Cc1ccccc1

STK540490
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK540491
Synonyms: methyl(2-fluoro-1-hydroxy-1-phenylethyl)(phenylethynyl)phosphinate
Smiles: COP(=O)(C(c1ccccc1)(CF)O)C#Cc1ccccc1

STK540492
Synonyms: N-(2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK540493
Synonyms: (2E)-3-(3-nitrophenyl)-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-2-enamide
Smiles: O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]

STK540495
Synonyms: 5-(4-tert-butylphenyl)-7,9-dichloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1ccc(cc1)C(C)(C)C)Cl

STK540496
Synonyms: 4-[9-bromo-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl4-bromobenzoate
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(cc1)OC(=O)c1ccc(cc1)Br

STK540497
Synonyms: 2-{4-[(E)-{2-[(2,4-dichlorophenyl)carbamothioyl]hydrazinylidene}methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=S)Nc2ccc(cc2Cl)Cl)ccc1OCC(=O)N

STK540499
Synonyms: 3-benzyl-6-(propan-2-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK540500
Synonyms: (8R,8aR)-6-amino-8-(2-methoxynaphthalen-1-yl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(C)C)c1c(OC)ccc2c1cccc2)(C#N)C#N

STK540501
Synonyms: 2-cyclopropyl-N'-[(E)-1H-indol-3-ylmethylidene]quinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1c[nH]c2c1cccc2

STK540502
Synonyms: 3-amino-6-ethyl-N-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
Smiles: CCc1nc2sc(c(c2cc1C)N)C(=O)Nc1ccc(cc1)F

STK540503
Synonyms: 2-[(3aR,4R,7S,7aS)-5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]pentanedioicacid
Smiles: BrC1[C@@H]2C[C@H](C1Br)[C@H]1[C@@H]2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O

STK540504
Synonyms: 3-(cyanomethyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Smiles: N#CCn1cnc2c(c1=O)n(c1ccccc1)c(c2C#N)C

STK540505
Synonyms: (6aR,6bS,9aR,10S)-8-(2-fluorophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccccc2F)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccccc1)N1[C@@H]2C=Cc2c1cccc2

STK540506
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccccc1O

STK540507
Synonyms: N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2cncn2)ccc1OCc1ccc(c(c1)Cl)Cl

STK540508
Synonyms: N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]-2-cyclopropylquinoline-4-carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccccc1/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540510
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)Cl

STK540512
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-phenyl-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)C(=O)c1ccccc1

STK540513
Synonyms: 3-cyclohexyl-11-(furan-2-ylmethyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1nc2c(c(=O)n1C1CCCCC1)c1c(n2Cc2ccco2)nc2c(n1)cccc2

STK540514
Synonyms: N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
Smiles: O=C(NC(c1ccc2c3c1cccc3CC2)c1ccccc1)CCCCCN1C(=O)c2c(C1=O)cccc2

STK540515
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)Cn1nnc(n1)N)/C

STK540517
Synonyms: 8-chloro-3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540518
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-3-chloro-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK540521
Synonyms: ethyl4-[(3-chlorophenyl)amino]-8-methylquinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)Cl)cccc2C

STK540522
Synonyms: 3-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540523
Synonyms: 5-(4-methylphenyl)-4-[2-oxo-2-(phenylamino)ethyl]-N-phenylthiophene-2-carboxamide
Smiles: Cc1ccc(cc1)c1sc(cc1CC(=O)Nc1ccccc1)C(=O)Nc1ccccc1

STK540524
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)CC

STK540525
Synonyms: ethyl1-[(phenylcarbonyl)amino]-5-(propan-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=O)c1ccccc1)c1CCCCc1c(n2)C(C)C

STK540526
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1F

STK540527
Synonyms: ethyl5-fluoro-3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cc(OC)c(c(c1)OC)OC)cc(cc2)F

STK540528
Synonyms: 4-benzyl-7-(propan-2-yl)-1-(prop-2-en-1-ylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540529
Synonyms: 1-(ethoxycarbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylicacid
Smiles: CCOC(=O)C1CCCc2c1[nH]c1c2cccc1C(=O)O

STK540530
Synonyms: 8-bromo-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)Cl

STK540532
Synonyms: N-(2-fluorobenzyl)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
Smiles: COc1ccccc1C(c1ccco1)CCNCc1ccccc1F

STK540533
Synonyms: 9,9'-(oxydimethanediyl)bis(9H-carbazole)
Smiles: c1ccc2c(c1)n(COCn1c3ccccc3c3c1cccc3)c1c2cccc1

STK540534
Synonyms: 8-chloro-3-({(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: C=CCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540535
Synonyms: ethyl[{[dimethyl(oxido)-lambda~6~-sulfanylidene]amino}(diphenyl)-lambda~5~-phosphanylidene][(E)-(4-nitrophenyl)diazenyl]acetate
Smiles: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)N=S(=O)(C)C)/N=N/c1ccc(cc1)[N+](=O)[O-]

STK540536
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
Smiles: CCn1nc(c(c1C)/C=N/NC(=S)Nc1ccc(cc1Cl)Cl)C

STK540538
Synonyms: (2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
Smiles: COc1cc(/C=N/NC(=S)Nc2ccc(cc2Cl)Cl)cc(c1O)Br

STK540540
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-(4-tridecanoylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCCCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540541
Synonyms: 1-phenyl-2-{[5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}ethanone
Smiles: O=C(c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK540543
Synonyms: (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)C(C)(C)C)C(C(=C2C#N)N)(C#N)C#N

STK540544
Synonyms: (1'R,3R,3'R)-1'-[(4-bromophenyl)carbonyl]-7'-chloro-3'-(phenylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccc(cc2)Br)[C@]2([C@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STK540545
Synonyms: ethyl4-[2-(2-{[3-(ethoxycarbonyl)-6-methoxyquinolin-4-yl]amino}ethyl)-1H-benzimidazol-1-yl]-6-methoxyquinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCc1nc3c(n1c1c(cnc4c1cc(OC)cc4)C(=O)OCC)cccc3)cc(cc2)OC

STK540546
Synonyms: 4,6-dimethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]pyrimidine
Smiles: CC/C(=N/Nc1nc(C)cc(n1)C)/c1ccccc1

STK540547
Synonyms: (9E)-3-(4-bromophenyl)-9-(4-methylbenzylidene)-5-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Cc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)C)/CCC2

STK540548
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK540551
Synonyms: 2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(c(c1)OC)OC

STK540552
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)F

STK540553
Synonyms: 5-(morpholin-4-yl)-8-[(2-phenylethyl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3SCCc1ccccc1

STK540554
Synonyms: 4-(hexadecyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCCCCCCCCCCCCOc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK540555
Synonyms: (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(thiophen-2-yl)ethanamide
Smiles: O=C(/C=C/1\NC(C)(C)Cc2c1cccc2)Nc1cccs1

STK540556
Synonyms: ethyl1-(4-bromophenyl)-4-ethoxy-5-(2-hydroxyethyl)-1,4-dihydro-1,2,4-diazaphosphinine-3-carboxylate4-oxide
Smiles: CCOC(=O)C1=NN(C=C(P1(=O)OCC)CCO)c1ccc(cc1)Br

STK540558
Synonyms: N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccccc2)ccc1OCc1ccc(c(c1)Cl)Cl

STK540559
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1ccccc1Cl

STK540561
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK540562
Synonyms: 3-amino-N-[4-(butan-2-yl)phenyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCC(c1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC)C

STK540563
Synonyms: methyl2-[({2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxalin-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK540564
Synonyms: methyl2-{[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3)C

STK540565
Synonyms: 8-bromo-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)Br

STK540567
Synonyms: ethyl5-fluoro-3-{[(3-methoxyphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)OC)cc(cc2)F

STK540568
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)F

STK540569
Synonyms: methyl5-chloro-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cc(cc2)Cl

STK540570
Synonyms: 3-{[(E)-(4-ethoxyphenyl)methylidene]amino}-2-[(2-methylphenoxy)methyl]quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)/C=N/n1c(COc2ccccc2C)nc2c(c1=O)cccc2

STK540571
Synonyms: (1'R,3R,3'R)-1'-[(4-bromophenyl)carbonyl]-7'-chloro-3'-[(4-fluorophenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)ccc(c3)Cl

STK540572
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N\NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl)/C

STK540573
Synonyms: 4-(4-methoxyphenyl)-1-[(2-phenylethyl)sulfanyl]-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCCc1ccccc1

STK540575
Synonyms: 1-(heptylsulfanyl)-4-(4-methylphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(C)C

STK540576
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(4-iodophenyl)heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccc(cc1)I

STK540577
Synonyms: (1'R,3R,3'R)-1'-[(4-bromophenyl)carbonyl]-3'-[(3-methoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK540578
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(\c2ccccc2O)/C)nc2c1c(=O)n(C)c(=O)n2C)COc1ccccc1C

STK540579
Synonyms: N'-[(E)-furan-2-ylmethylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccco1

STK540580
Synonyms: (9E)-3-(4-fluorophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)F)/C(=C/c1ccc(cc1)OC)/CCC2

STK540581
Synonyms: 8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK540583
Synonyms: 3-{[(E)-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxyphenyl}methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)OC

STK540584
Synonyms: methyl[(4-bromophenyl)(hydroxy)methyl][(E)-2-phenylethenyl]phosphinate
Smiles: COP(=O)(C(c1ccc(cc1)Br)O)/C=C/c1ccccc1

STK540585
Synonyms: N-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-1-propyl-1H-benzimidazol-2-amine
Smiles: CCCn1c(NCc2ccc(cc2)N2N=C(C(C2c2ccccc2)(C)C)c2ccccc2)nc2c1cccc2

STK540586
Synonyms: N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK540587
Synonyms: 3-(4-methoxyphenyl)-2-(pentylsulfanyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)C

STK540588
Synonyms: 4-(3-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n(c1=O)c1cccc(c1)C)C

STK540589
Synonyms: N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1ccccn1)/C

STK540590
Synonyms: methyl2-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c1CC)C

STK540591
Synonyms: 7-ethyl-1,3-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C

STK540592
Synonyms: (6aR,6bS,9aR,10S)-8-(2,4-dichlorophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK540594
Synonyms: N-{1-phenyl-5-[(trichloroacetyl)amino]-1H-1,2,4-triazol-3-yl}benzamide
Smiles: O=C(c1ccccc1)Nc1nc(n(n1)c1ccccc1)NC(=O)C(Cl)(Cl)Cl

STK540595
Synonyms: 2-methyl-N'-[(E)-(4-nitrophenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540596
Synonyms: 5-(morpholin-4-yl)-8-(propan-2-ylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK540597
Synonyms: 2-{4-[(E)-{2-[(5-amino-2H-tetrazol-2-yl)acetyl]hydrazinylidene}methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)ccc1OCC(=O)N

STK540598
Synonyms: ethyl2-amino-1-(3-{[(4-methoxyphenyl)carbonyl]oxy}propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)OC

STK540599
Synonyms: 3-{[(E)-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Brc1cc2oc3c(c2c(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)CCCC3

STK540600
Synonyms: (5Z)-2-[4-(diphenylmethyl)piperazin-1-yl]-5-(furan-2-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccco1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK540603
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540604
Synonyms: 8-[(2E)-but-2-en-1-ylsulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/CSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK540605
Synonyms: 8-hydrazinyl-2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: NNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK540606
Synonyms: N-(2-methylphenyl)-2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540607
Synonyms: methyl2-{[(thiophen-2-ylacetyl)carbamothioyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCCCCCCCC2

STK540608
Synonyms: 1-[(3-methylbutyl)sulfanyl]-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3)C

STK540609
Synonyms: 2-cyclopropyl-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)ccc1OC

STK540610
Synonyms: (6aR,6bS,9aR,10S)-8-(4-butoxyphenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK540613
Synonyms: 5,6,7,8-tetrafluoro-4-(pentafluorophenyl)-1,3-diphenyl-1,4-dihydro-1,2,4-benzodiazaphosphinine4-oxide
Smiles: Fc1c(F)c(F)c2c(c1F)N(N=C(P2(=O)c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)c1ccccc1

STK540614
Synonyms: 1-amino-N-(3,4-dichlorophenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccc(c(c1)Cl)Cl

STK540615
Synonyms: 2-cyano-2-{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-(prop-2-en-1-yl)acetamide
Smiles: C=CCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK540616
Synonyms: 3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2-[(2-methylphenoxy)methyl]quinazolin-4(3H)-one
Smiles: Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)N(C)C

STK540619
Synonyms: N'-{(E)-[2-(benzyloxy)-5-bromophenyl]methylidene}-2,2-diphenylcyclopropanecarbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1)OCc1ccccc1

STK540622
Synonyms: N-(4-methylphenyl)-2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540623
Synonyms: 2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540625
Synonyms: 6-fluoro-3-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)-4H-chromen-4-one
Smiles: Fc1ccc2c(c1)c(=O)c(co2)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

STK540627
Synonyms: 2,4-dibromo-6-{(E)-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl}phenol
Smiles: Brc1cc(/C=N/Nc2nc(C)cc(n2)C)c(c(c1)Br)O

STK540628
Synonyms: 8-(cyclohexylamino)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C

STK540629
Synonyms: N-(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1nc2c(s1)cccc2

STK540631
Synonyms: N'-[(E)-(4-chlorophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)Cl

STK540632
Synonyms: (3Z)-3-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-4-(propan-2-ylidene)dihydrofuran-2,5-dione
Smiles: O=C1OC(=O)C(=C(C)C)/C/1=C/c1c(C)n(c2c1cccc2)C

STK540633
Synonyms: 4,6-dichloro-5-(4-ethoxy-3-methylbenzyl)-2-(methylsulfanyl)pyrimidine
Smiles: CCOc1ccc(cc1C)Cc1c(Cl)nc(nc1Cl)SC

STK540634
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1-phenylpentyl)heptanamide
Smiles: CCCCC(c1ccccc1)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540637
Synonyms: 7-ethyl-8-[(2E)-2-(3-hydroxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(N/N=C/c2cccc(c2)O)nc2c1c(=O)n(c(=O)n2C)C

STK540638
Synonyms: (8R,8aS,11aR,11bR)-8-[(4-bromophenyl)carbonyl]-10-(naphthalen-1-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK540639
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(cc1)C(C)C

STK540640
Synonyms: ethyl{[4-(3-methylphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C

STK540641
Synonyms: 11-[2-(difluoromethoxy)phenyl]-N-(4-ethylphenyl)-10-methyl-8-(2-methylphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2OC(F)F)c(nn1c1ccccc1C)C

STK540642
Synonyms: 2-[(3-methylbenzyl)sulfanyl]-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2cccc(c2)C)nc(cc1c1ccccc1)c1cccs1

STK540644
Synonyms: methyl3-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cccc2

STK540645
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccn1

STK540647
Synonyms: 2-(piperidin-1-yl)ethyl1-phenylcyclopentanecarboxylate
Smiles: O=C(C1(CCCC1)c1ccccc1)OCCN1CCCCC1

STK540648
Synonyms: methyl3-{[(2-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cccc2

STK540649
Synonyms: ethyl3-{[ethoxy(oxo)acetyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)C(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK540650
Synonyms: N-(2,3-dichlorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1cccc(c1Cl)Cl

STK540651
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccccc1Cl

STK540652
Synonyms: 4-({3-methyl-2-[(phenylcarbonyl)amino]but-2-enoyl}amino)benzoicacid
Smiles: O=C(C(=C(C)C)NC(=O)c1ccccc1)Nc1ccc(cc1)C(=O)O

STK540653
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)Br

STK540654
Synonyms: 3-amino-N-(2,3-dimethoxybenzyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)NCc1cccc(c1OC)OC

STK540655
Synonyms: 9-chloro-2-(4-ethoxyphenyl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC2c1ccccc1

STK540656
Synonyms: 2-(4-benzylpiperidin-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCC(CC1)Cc1ccccc1)C

STK540657
Synonyms: 4,4'-{[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzohydrazide
Smiles: CCN(c1nc(Oc2ccc(cc2)C(=O)NN)nc(n1)Oc1ccc(cc1)C(=O)NN)CC

STK540658
Synonyms: 3-amino-N,6-bis(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540659
Synonyms: 7-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

STK540660
Synonyms: methyl5-fluoro-3-{[(4-fluorophenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1)F)cc(cc2)F

STK540665
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK540666
Synonyms: 3-ethyl6-methyl4-(naphthalen-1-ylamino)quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc3c1cccc3)cc(cc2)C(=O)OC

STK540667
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1c(O)ccc2c1cccc2

STK540668
Synonyms: 3-{4-[(5E)-5-(2-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N

STK540670
Synonyms: N'-[(1E)-1-(4-chlorophenyl)ethylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: Clc1ccc(cc1)/C(=N/NC(=O)c1ccc(=O)[nH]n1)/C

STK540671
Synonyms: 1-benzyl-2-(4-bromophenyl)-3-ethoxy-5-methyl-2,3-dihydro-1H-1,3-azaphosphole3-oxide
Smiles: CCOP1(=O)C=C(N(C1c1ccc(cc1)Br)Cc1ccccc1)C

STK540672
Synonyms: 11-(4-fluorophenyl)-10-methyl-N-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)F)C)c1ccccc1

STK540673
Synonyms: methyl3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc(c(c2)OC)OC

STK540674
Synonyms: 3-(4-methoxyphenyl)-2-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)n1c(SC(C(=O)N2CCCCC2)C)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK540675
Synonyms: (9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(3-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccc(cc1)Cl)/CCC2

STK540676
Synonyms: ethyl[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540677
Synonyms: 2-cyclopropyl-N'-[(1Z)-1-phenylpropylidene]quinoline-4-carbohydrazide
Smiles: CC/C(=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)/c1ccccc1

STK540678
Synonyms: ethyl3-{[(4-fluorophenyl)carbonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)OC

STK540679
Synonyms: 3-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}propyl3-nitrobenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)CCCOC(=O)c1cccc(c1)[N+](=O)[O-]

STK540681
Synonyms: 4-butoxy-N-{(1E)-3-(ethylamino)-3-oxo-1-[4-(propan-2-yloxy)phenyl]prop-1-en-2-yl}benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)OC(C)C)/C(=O)NCC

STK540683
Synonyms: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanehydrazide
Smiles: O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N/N=C/1\C(=O)Nc2c1cccc2

STK540685
Synonyms: N-(3-methylpyridin-2-yl)-1-phenylcyclopentanecarboxamide
Smiles: Cc1cccnc1NC(=O)C1(CCCC1)c1ccccc1

STK540686
Synonyms: 1-(butylsulfanyl)-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3

STK540688
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cn(nc1C)C

STK540689
Synonyms: ethyl1-(2-hydroxyethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK540690
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-(3-chlorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc(c1)Cl

STK540691
Synonyms: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)Cc1ccccc1

STK540692
Synonyms: 3-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Brc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)Br)O

STK540694
Synonyms: 6-tert-butyl-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(SCc2cccc(c2)OC)nc2c1CC(CC2)C(C)(C)C

STK540696
Synonyms: 2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)C(C)C

STK540697
Synonyms: 2-{[4-(3-methylphenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3

STK540698
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cccnc1

STK540700
Synonyms: 3-methyl-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(C)nn2)CC(OC3)C(C)C

STK540701
Synonyms: 3-amino-N-(4-methoxybenzyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540702
Synonyms: 2-{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(c(c1)OC)OC)C12CC3CC(C2)CC(C1)C3

STK540703
Synonyms: 3-(furan-2-ylmethyl)-11-(4-methoxybenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)Cc1ccco1

STK540704
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-{(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(\c2ccc(cc2)[N+](=O)[O-])/C)nc2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C

STK540705
Synonyms: 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540706
Synonyms: 8-{(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C(\c2ccccc2O)/C)nc2c1c(=O)n(c(=O)n2C)C

STK540707
Synonyms: (9E)-3-(4-bromophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)OC)/CCC2

STK540709
Synonyms: 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
Smiles: Cc1cccc2c1nc(s2)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK540710
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)CSc1nc2c(s1)cccc2)Br

STK540712
Synonyms: 2-{4-[(E)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccccc2)ccc1OCC(=O)N

STK540714
Synonyms: {[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(SC(c2ccccc2)C(=O)O)nc(cc1c1ccc(cc1)Cl)c1cccs1

STK540716
Synonyms: ethyl5-fluoro-3-{[(3-methylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(cc2)F

STK540717
Synonyms: 6-amino-4-(2-chlorophenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(C)nn2c1ccc(cc1)C

STK540718
Synonyms: ethyl3-ethyl-4-{[(4-nitrophenyl)carbonyl]amino}-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(=S)n(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])CC

STK540719
Synonyms: N-(4-{[3-(4-benzylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2

STK540720
Synonyms: N'-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-phenylacetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1ncnc2c1cnn2Cc1ccccc1

STK540721
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnnc2N)cc(c1O)Br

STK540723
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(cc1)C

STK540727
Synonyms: 2-amino-1-(4-butylphenyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccccc1

STK540728
Synonyms: (2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)C(=O)/C=C/c1ccc(c(c1)CSc1nc2c([nH]1)cccc2)OC

STK540730
Synonyms: 3-methyl-7-octyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1

STK540732
Synonyms: methyl4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

STK540733
Synonyms: 1-{(E)-[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}naphthalen-2-ol
Smiles: COc1ccc2c(c1)sc(n2)/N=C/c1c(O)ccc2c1cccc2

STK540735
Synonyms: [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)C)C(F)(F)F

STK540736
Synonyms: 2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540737
Synonyms: 4-(2-amino-3,4-dicyano-5-phenyl-1H-pyrrol-1-yl)benzoicacid
Smiles: N#Cc1c(C#N)c(n(c1c1ccccc1)c1ccc(cc1)C(=O)O)N

STK540738
Synonyms: 6-ethyl-2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccc(cc1)C

STK540740
Synonyms: 3-[(2,2-diphenylethyl)amino]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)NCC(c1ccccc1)c1ccccc1

STK540741
Synonyms: N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1

STK540742
Synonyms: 2,4-bis(methylsulfanyl)-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SC)nc2c1c1CC(OCc1s2)C(C)C

STK540744
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccn1

STK540745
Synonyms: N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: S=C(NC(=O)c1ccccc1)NNC(=O)c1cccnc1

STK540746
Synonyms: N'-{(E)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)c1ccncc1

STK540747
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1C

STK540748
Synonyms: methyl[(4-fluorophenyl)(hydroxy)methyl][(E)-2-phenylethenyl]phosphinate
Smiles: COP(=O)(C(c1ccc(cc1)F)O)/C=C/c1ccccc1

STK540749
Synonyms: (2E)-2-[(5-methylfuran-2-yl)methylidene]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccc(o1)C

STK540750
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK540751
Synonyms: methyl3-{[2-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-5-chloro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)C(=O)N)C)cc(cc2)Cl

STK540752
Synonyms: ethyl2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc(c1C)C

STK540753
Synonyms: 1-(benzylsulfanyl)-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccccc1

STK540754
Synonyms: ethyl5-fluoro-3-{[(4-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)F

STK540756
Synonyms: (8R)-6-amino-8-(5-methylfuran-2-yl)-8,8a-dihydro-1H-isochromene-5,7,7(3H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H](C2C1=CCOC2)c1ccc(o1)C)(C#N)C#N

STK540757
Synonyms: N'-[(E)-(4-methylphenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)C

STK540758
Synonyms: 9-(2-methoxyphenyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: COc1ccccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK540759
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)Cn1nnnc1N

STK540761
Synonyms: (6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)c2ccccc2C=C1

STK540762
Synonyms: 2-amino-1'-(2-chlorobenzyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31c1ccccc1N(C3=O)Cc1ccccc1Cl)C(=O)CC(C2)(C)C

STK540763
Synonyms: 1,1'-piperazine-1,4-diylbis(2,2-diphenylethanone)
Smiles: O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

STK540764
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3-bromophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cccc(c1)Br

STK540765
Synonyms: 3-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc(c1O)Cl

STK540766
Synonyms: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)Br)C(C)C

STK540767
Synonyms: methyl2-{[(2-amino-1-phenyl-1H-pyrrolo[2,3-b]quinoxalin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccccc1

STK540768
Synonyms: 9-amino-2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: Nn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK540769
Synonyms: 1,3-dimethyl-7-propyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK540770
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(4-methoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STK540772
Synonyms: (5E)-5-(4-hydroxy-3-nitrobenzylidene)-2-[4-(naphthalen-1-yl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)N1CCN(CC1)c1cccc2c1cccc2

STK540773
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-3-chloro-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK540774
Synonyms: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Br

STK540775
Synonyms: ethyl4-{2-amino-3-[(furan-2-ylmethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccco1

STK540776
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540779
Synonyms: ethyl6-tert-butyl-2-{[(3-methoxyphenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2cccc(c2)OC)sc2c1CCC(C2)C(C)(C)C

STK540782
Synonyms: 6,6-dimethyl-3-(3-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540784
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)Br

STK540785
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-8-(naphthalen-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1

STK540788
Synonyms: 2-(3,4-dimethoxyphenyl)-N'-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)NNc1ncnc2c1cnn2c1ccc(cc1)C

STK540789
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)C

STK540790
Synonyms: (5E)-2-(4-acetylpiperazin-1-yl)-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/S1

STK540792
Synonyms: prop-2-en-1-ylN'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]carbamohydrazonothioate
Smiles: C=CCS/C(=N\N=C\c1c(O)ccc2c1cccc2)/N

STK540794
Synonyms: 4-(3-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC(=O)c1ccccc1

STK540795
Synonyms: 2-(heptylsulfanyl)-3-(3-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC3

STK540796
Synonyms: ethyl(3,3-dimethylbut-1-yn-1-yl)(1-hydroxy-1-phenylethyl)phosphinate
Smiles: CCOP(=O)(C(c1ccccc1)(O)C)C#CC(C)(C)C

STK540797
Synonyms: (5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[2-(propan-2-yloxy)benzylidene]-1,3-thiazol-4(5H)-one
Smiles: CC(Oc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)Cl)C

STK540798
Synonyms: 2-amino-4-(2-butoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: CCCCOc1ccccc1C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK540799
Synonyms: 2-{[4-(3-methylphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C

STK540800
Synonyms: (6aR,6bS,9aR,10S)-8-(3,5-dichlorophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)c2ccccc2C=C1

STK540803
Synonyms: N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cc(Br)c(c(c1)Br)O

STK540804
Synonyms: 4-(3-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccccc1

STK540805
Synonyms: 3-(furan-2-ylmethyl)-2-[(4-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK540806
Synonyms: 8,8-dimethyl-11-phenyl-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2c2ccccc2)sc2c1ncn1c2ncn1

STK540807
Synonyms: 2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N1CCCCC1)C

STK540809
Synonyms: 2-[(4-methylphenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)sc2c1CCC2

STK540810
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)Cn1cncn1

STK540811
Synonyms: 6-amino-4-(2-methoxyphenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)c(CSc1ccc(cc1)C)[nH]n2

STK540812
Synonyms: N-methyl-N-octadecylimidodicarbonimidicdiamide
Smiles: CCCCCCCCCCCCCCCCCCN(C(=N)NC(=N)N)C

STK540814
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-anthracen-9-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1c2ccccc2cc2c1cccc2

STK540815
Synonyms: 8-(4-bromophenyl)-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccc(cc1)c1cn2c(n1c1ccc(cc1)Br)nc1c2c(=O)n(C)c(=O)n1C

STK540816
Synonyms: ethyl5-fluoro-3-[(phenoxycarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Oc1ccccc1)cc(cc2)F

STK540817
Synonyms: ethyl6,7-difluoro-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate
Smiles: C=CCn1cc(C(=O)OCC)c(=O)c2c1cc(F)c(c2)F

STK540818
Synonyms: 5-(4-butoxy-3-methoxyphenyl)-7,9-dichloro-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCCCOc1ccc(cc1OC)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccc(c(c1)OC)OC)Cl

STK540819
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(Z)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C\c1cccc(c1)Oc1ccccc1

STK540820
Synonyms: 2-cyclopropyl-N'-[(E)-(2,4-dichlorophenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540821
Synonyms: (1'R,3R,3'R)-1'-[(4-methoxyphenyl)carbonyl]-3'-(phenylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK540822
Synonyms: N'-[(E)-pyridin-3-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccnc1

STK540823
Synonyms: N-[4-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)phenyl]hexanamide
Smiles: CCCCCC(=O)Nc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2

STK540824
Synonyms: 8-(butylamino)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK540825
Synonyms: methyl(1R,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(2,3-dichlorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1Cl)Cl)C(=O)N)C(=O)C

STK540826
Synonyms: methyl5-chloro-3-{[2-(4-phenylpiperazin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1ccccc1)C)cc(cc2)Cl

STK540827
Synonyms: 6,6-dimethyl-3-(3-methylphenyl)-2-[(2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SCCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK540828
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540829
Synonyms: 8-(benzylsulfanyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCc1ccccc1)C

STK540830
Synonyms: 2-{[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCN(CC2)Cc2ccccc2)sc2c1CCCC2

STK540831
Synonyms: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccccc2)ccc1OC(C)C