FULL DB

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

STK553111
Synonyms: 2-(4-bromophenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK553113
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553114
Synonyms: N-(4-chlorophenyl)-2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK553115
Synonyms: N,N-diethyl-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3)CC

STK553116
Synonyms: 5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F

STK553117
Synonyms: 4-phenoxy-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccccc2)c2c(n1)cccc2)C

STK553120
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1ccc(s1)Br

STK553121
Synonyms: (5E)-1-(2,4-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)C)/C1=O

STK553122
Synonyms: N-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-N-(3-methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)C)CN(CC(C)C)CC(C)C

STK553125
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccccc1

STK553126
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cccc(c2)C)/C1=O

STK553128
Synonyms: 2-[4-(4-chloro-3,5-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2cc(C)c(c(c2)C)Cl)c2c(n1)cccc2

STK553129
Synonyms: 5-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK553130
Synonyms: 6-iodo-3-(2-methyl-5-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)[N+](=O)[O-])c1cc(ccc1C)[N+](=O)[O-]

STK553131
Synonyms: 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile
Smiles: N#Cc1nn(c(c1C#N)N)C(=O)C

STK553132
Synonyms: 11-(4-ethylphenyl)-10-methyl-N,8-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1)nc1c2cccc1

STK553134
Synonyms: 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4(3H)-one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc(c1)[N+](=O)[O-])I

STK553135
Synonyms: 4-[5-(3-bromophenyl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccc(c1)Br)c1ccc(cc1)Br

STK553137
Synonyms: (4aS,4bR,7aS,8R)-6-(4-butoxyphenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

STK553138
Synonyms: N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK553139
Synonyms: 1-methoxypropan-2-yl2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)F)C

STK553140
Synonyms: 2-imino-1-(2-methoxyethyl)-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: COCCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C)C

STK553142
Synonyms: 3-[(4-ethylphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
Smiles: CCc1ccc(cc1)S(=O)(=O)N1CCSC1c1ccc(cc1)C

STK553143
Synonyms: ethyl3-{[2-(4-benzylpiperazin-1-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccccc1)C)cc(c(c2)OC)OC

STK553144
Synonyms: 7-(2-hydroxyethyl)-8-[(2E)-2-{2-hydroxy-5-[(E)-phenyldiazenyl]benzylidene}hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(N/N=C/c2cc(ccc2O)/N=N/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK553145
Synonyms: butyl4-{[(1E)-3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)/N=C/1\C=C(NCCCC)C(=O)c2c1c(O)ccc2

STK553146
Synonyms: 4-bromo-2-{6-[(3,5-dimethylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(C)cc(c1)C)c1ccccc1)O

STK553147
Synonyms: 5-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(c(c1)OC)OC

STK553149
Synonyms: 6-(methylsulfanyl)-8-(morpholin-4-yl)-3-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CSc1nc(N2CCOCC2)c2c(c1C#N)CC(OC2)C(C)C

STK553150
Synonyms: 2-[4-(propan-2-yloxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK553152
Synonyms: butyl4-[(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)OC

STK553153
Synonyms: (9E)-9-benzylidene-3-(4-fluorophenyl)-7-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2)/C2=C(C1)C(c1ccccc1)n1c(=N2)scc1c1ccc(cc1)F

STK553157
Synonyms: 3-[(4-butoxyphenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)N1CCSC1c1ccc(cc1)C

STK553159
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553160
Synonyms: (6aS,6bR,9aS,10R)-8-(4-bromophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK553161
Synonyms: (2E)-3-(furan-2-yl)-N-[(2-methoxydibenzo[b,d]furan-3-yl)carbamothioyl]prop-2-enamide
Smiles: COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1ccco1)oc1c2cccc1

STK553162
Synonyms: 2-(2-fluorophenyl)-N-(4-fluorophenyl)quinazolin-4-amine
Smiles: Fc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1F

STK553163
Synonyms: N-{2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-2-(4-methoxyphenyl)acetamide(non-preferredname)
Smiles: COc1ccc(cc1)CC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC

STK553164
Synonyms: 2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK553165
Synonyms: (5Z)-2-[(3,4-dimethylphenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK553166
Synonyms: 2-(pyridin-4-yl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)c1ccncc1

STK553167
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)NCCc1ccccc1

STK553168
Synonyms: (3a'R,8a'S,8b'S)-2'-(naphthalen-1-yl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2)c1cccc2c1cccc2

STK553170
Synonyms: 3-{[(E)-(2-fluorophenyl)methylidene]amino}-8-methoxy-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK553171
Synonyms: N-(3,4-dimethylphenyl)-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccco1)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK553172
Synonyms: ethyl{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK553173
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1Z)-1-(2-chlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C(\c1ccccc1Cl)/C

STK553174
Synonyms: 3-(furan-2-ylmethyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(=C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK553176
Synonyms: 2-(propoxycarbonyl)phenyl4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1Cl)Cl

STK553177
Synonyms: 3-ethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553179
Synonyms: 2-amino-1-(2-methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK553180
Synonyms: 5-ethyl-5-methyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)oc(n2)c1ccccc1

STK553181
Synonyms: 2-[4-(hexyloxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK553183
Synonyms: 2-{[6-iodo-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N)nc2c(c1=O)cc(cc2)I

STK553184
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-bromophenyl)-6-hydroxy-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2CCN(C(c2cc1OC)c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccc(cc1)Br)C(=O)C

STK553185
Synonyms: (8R,8aS,11aR)-10-(4-acetylphenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3

STK553186
Synonyms: 6-hydroxy-5-{(1Z)-1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}pyrimidine-2,4(1H,3H)-dione
Smiles: C/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1c(O)[nH]c(=O)[nH]c1=O

STK553187
Synonyms: (8R,8aS,11aR)-10-(4-chlorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK553188
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK553189
Synonyms: (8R,8aS,11aR)-10-(2-methoxy-5-nitrophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1OC)[N+](=O)[O-])cccc3

STK553191
Synonyms: 3-propyl-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCC)CCCC3

STK553193
Synonyms: N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-nitrobenzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Nc1c(nc2n1cccc2C)c1ccccc1

STK553194
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/C

STK553195
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1

STK553196
Synonyms: 6-chloro-2-[3'-(4-methylphenyl)-1',5-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-4-phenylquinazoline
Smiles: Cc1ccc(cc1)c1nn(cc1C1CC(=NN1c1nc2ccc(cc2c(n1)c1ccccc1)Cl)c1ccccc1)c1ccccc1

STK553197
Synonyms: 2-[(4-amino-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)Nc1ccccc1

STK553198
Synonyms: (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK553199
Synonyms: 2-(butylsulfanyl)-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK553200
Synonyms: ethyl3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCc3c(C1)cccc3)cc(c(c2)OC)OC

STK553202
Synonyms: 2-bromo-N'-[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]benzohydrazide
Smiles: CSc1nc(NNC(=O)c2ccccc2Br)c2c(n1)sc1c2CCCC1

STK553203
Synonyms: [(6-bromo-2-methylquinolin-4-yl)sulfanyl]aceticacid
Smiles: Cc1cc(SCC(=O)O)c2c(n1)ccc(c2)Br

STK553204
Synonyms: 2-(propoxycarbonyl)phenyl4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)Cl

STK553205
Synonyms: N~4~-(3-methylphenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK553206
Synonyms: 4-(benzyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc1c(c2)c2c(s1)c(ncn2)OCc1ccccc1

STK553207
Synonyms: 4-(morpholin-4-yl)-2-(pyridin-2-yl)quinazoline
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK553208
Synonyms: 3-(2-methoxyphenyl)-11-(4-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK553209
Synonyms: 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile
Smiles: N#Cc1ccc(cc1)c1ccc(cc1)OCC(Cn1nnc2c1cccc2)O

STK553210
Synonyms: 4-{6-[(3-chloro-4-methylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-methoxyphenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK553211
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553213
Synonyms: 11-(4-tert-butylphenyl)-N-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(C)(C)C)C)c1ccccc1

STK553214
Synonyms: N-(4-butylphenyl)-11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C

STK553219
Synonyms: 2-[(5-ethyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)N)nn2)CCC3

STK553220
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK553221
Synonyms: 2-(4-{4-[(3-chlorophenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethanone
Smiles: Clc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK553222
Synonyms: 4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CCCC1

STK553224
Synonyms: (5Z)-5-({1-[3-(3,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cc(C)cc(c2)C)/C1=O

STK553226
Synonyms: 4-(4-methoxyphenoxy)-2-[4-(propan-2-yloxy)phenyl]quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccc(cc1)OC(C)C

STK553227
Synonyms: 4-(2-phenylpropan-2-yl)phenyl4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: O=C(c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)C(c1ccccc1)(C)C

STK553229
Synonyms: 2-[(2,6-dichlorobenzyl)sulfanyl]-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1c(Cl)cccc1Cl

STK553230
Synonyms: N'-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]acetohydrazide
Smiles: CSc1nc(NNC(=O)C)c2c(n1)sc1c2CC(OC1)(C)C

STK553231
Synonyms: 5-(4-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl

STK553232
Synonyms: 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553234
Synonyms: 7-(4-methylphenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Cc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK553235
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-(pyridin-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccccn1

STK553236
Synonyms: (8R,8aS,11aR)-10-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC)cccc3

STK553237
Synonyms: 3-chloro-2,5,6-trifluoro-4-[(triphenyl-lambda~5~-phosphanylidene)amino]pyridine
Smiles: Fc1nc(F)c(c(c1F)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl

STK553238
Synonyms: N-(2,4-dimethoxyphenyl)-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccco2)c(nn1c1ccccc1)C

STK553239
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethylphenyl)methylidene]acetohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C

STK553240
Synonyms: 2-[(2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-phenylethanone
Smiles: CCc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CCC1

STK553242
Synonyms: N-(2,3-dichlorophenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCN(CC1)c1cc(Nc2cccc(c2Cl)Cl)c(c2c1non2)[N+](=O)[O-]

STK553243
Synonyms: 2-(4-ethoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK553244
Synonyms: N-(3-chloro-4-methylphenyl)-11-(3-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK553246
Synonyms: ethyl4-({3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]quinoxalin-2-yl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2nc1Nc1cc(nn1c1ccccc1)C

STK553247
Synonyms: 8-bromo-3-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1c(cccc1OC)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK553248
Synonyms: (8R,8aS,11aR)-10-(4-fluorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F)cccc3

STK553249
Synonyms: 2-amino-N-pentyl-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCCC

STK553251
Synonyms: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one
Smiles: CCOc1cc(ccc1OCC)C1c2cc(OCC)c(cc2CC(=O)N1c1ccc(cc1)Br)OCC

STK553253
Synonyms: ethyl4-(5-{(E)-[(2Z)-2-{2-[(2-chlorophenyl)amino]-1-cyano-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c\1/s/c(=C(\C(=O)Nc2ccccc2Cl)/C#N)/n(c1=O)c1ccccc1

STK553254
Synonyms: 8-[(4-bromobenzyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccc(cc1)Br

STK553255
Synonyms: (6aS,6bR,9aS,10R)-8-(4-methoxyphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK553256
Synonyms: pentyl[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Smiles: CCCCCOC(=O)CSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK553257
Synonyms: 1-[(4-bromobenzyl)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(OCc3sc2n2c1nnc2SCc1ccc(cc1)Br)C(C)C

STK553258
Synonyms: (5Z)-5-({1-[3-(2-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2Cl)/C1=O

STK553259
Synonyms: ethyl1-(3-{1-cyano-2-[(1-methoxypropan-2-yl)oxy]-2-oxoethyl}quinoxalin-2-yl)piperidine-4-carboxylate
Smiles: COCC(OC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OCC)C#N)C

STK553260
Synonyms: 2-(methylsulfanyl)-4-(2-phenylhydrazinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(NNc2ccccc2)c2c(n1)sc1c2CCCC1

STK553261
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3

STK553262
Synonyms: 6,6-dimethyl-4-[(3-methylbutyl)sulfanyl]-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCCC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK553263
Synonyms: ethyl3-{[3-(2,6-dimethylmorpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)OC(C1)C)cccc2

STK553264
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK553265
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK553267
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)furan-2(5H)-one
Smiles: O=C1OC(C(=C1O)C(=O)c1ccccc1)c1ccccc1F

STK553268
Synonyms: (5E)-1-(2-ethylphenyl)-5-(furan-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccco2)/C1=O

STK553269
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(4-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK553270
Synonyms: 3-(furan-2-ylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=c1n(Cc2ccco2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK553271
Synonyms: ethyl4-({11-[4-(dimethylamino)phenyl]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK553272
Synonyms: (5E)-1-(2,5-dimethylphenyl)-5-(thiophen-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2cccs2)/C1=O)C

STK553273
Synonyms: 11-(3-bromophenyl)-N-(2-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)Br)C)c1ccccc1

STK553275
Synonyms: ethyl3-({2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cc(Cl)ccc1C)C)cc(c(c2)OC)OC

STK553277
Synonyms: methylN-[2-(2-chlorophenyl)quinazolin-4-yl]alaninate
Smiles: COC(=O)C(Nc1nc(nc2c1cccc2)c1ccccc1Cl)C

STK553278
Synonyms: 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: C=CCn1c(SCC(=O)N(CCC)CCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553279
Synonyms: 2-methoxy-6-{4-[(2-methoxy-5-methylphenyl)amino]quinazolin-2-yl}phenol
Smiles: COc1ccc(cc1Nc1nc(nc2c1cccc2)c1cccc(c1O)OC)C

STK553280
Synonyms: 2-{[3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)NC(Cc2ccccc2)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553282
Synonyms: 6,6-dimethyl-3-(3-methylphenyl)-2-[(naphthalen-2-ylmethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc3c(c2)cccc3)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553283
Synonyms: ethyl{[3-(furan-2-yl)-4-oxido-2-oxoquinoxalin-1(2H)-yl]oxy}acetate
Smiles: CCOC(=O)COn1c2ccccc2[n+](c(c1=O)c1ccco1)[O-]

STK553284
Synonyms: tricyclo[3.3.1.1~3,7~]decane-1,3,5-tricarboxylicacid
Smiles: OC(=O)C12CC3CC(C2)(CC(C1)(C3)C(=O)O)C(=O)O

STK553285
Synonyms: 5-(2-bromophenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK553286
Synonyms: 11-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccn1

STK553287
Synonyms: (4aS,4bR,7aS,8R)-6-(4-fluorophenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553288
Synonyms: 5-amino-1-(4-nitrophenyl)-1H-pyrazole-3,4-dicarbonitrile
Smiles: N#Cc1nn(c(c1C#N)N)c1ccc(cc1)[N+](=O)[O-]

STK553289
Synonyms: 2-(azepan-1-yl)-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)N1CCCCCC1

STK553290
Synonyms: 1-phenyl-2-[(5-phenyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: O=C(c1ccccc1)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK553291
Synonyms: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccc(cc1C(F)(F)F)Cl)/C#N

STK553292
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(=C)Cn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553293
Synonyms: 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK553294
Synonyms: 6-iodo-3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one
Smiles: CC(=C)Cn1c(SCC(=C)C)nc2c(c1=O)cc(cc2)I

STK553295
Synonyms: N-(3,4-dimethylphenyl)-11-(4-fluorophenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccn1

STK553299
Synonyms: (2'S,3'R)-2'-(2,4-dichlorophenyl)-3'-(2,2-dimethylpropanoyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: Clc1ccc(c(c1)Cl)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK553300
Synonyms: (5Z)-2-[(2,3-dimethylphenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C

STK553301
Synonyms: 6-chloro-3-{1-[(2-chlorophenyl)carbonyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccccc1Cl

STK553302
Synonyms: 1,1'-(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(5-amino-1H-pyrazole-4-carbonitrile)
Smiles: N#Cc1cnn(c1N)c1nc2sc3c(c2c(n1)n1ncc(c1N)C#N)CC(OC3)(C)C

STK553303
Synonyms: methyl4-{6-[(4-ethoxyphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(=O)OC)C)c1ccccc1

STK553304
Synonyms: N-(4-bromophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553305
Synonyms: 3-[2-(2-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1C(C)(C)C

STK553307
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}acetohydrazide
Smiles: CCCCCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C

STK553308
Synonyms: 2-[(4-fluorobenzyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)F)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553309
Synonyms: 11-(2-methoxyethyl)-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CC1CCCO1

STK553311
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)(C)C

STK553312
Synonyms: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,2-benzothiazol-3(2H)-one1,1-dioxide
Smiles: Clc1ccc(cc1)OCC(CN1C(=O)c2c(S1(=O)=O)cccc2)O

STK553313
Synonyms: 10-butyl-3-(prop-2-en-1-ylsulfanyl)-7,8,9,11a-tetrahydro-6bH-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnc1SCC=C

STK553315
Synonyms: 3-(methylsulfanyl)-5-phenyl-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: CSc1nnc2n1c(nc1c2c2CC(OCc2s1)C(C)C)c1ccccc1

STK553317
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(1Z)-1-(4-bromophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C(\c1ccc(cc1)Br)/C

STK553318
Synonyms: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)ccc2c1non2

STK553319
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(OC3)(C)C

STK553320
Synonyms: 8-methoxy-3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)OC

STK553321
Synonyms: 4-{[7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol
Smiles: CC1CCN(CC1)c1cc(Nc2ccc(cc2)O)c(c2c1non2)[N+](=O)[O-]

STK553322
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OCc1ccc(cc1)C)Br

STK553323
Synonyms: 2-[(E)-(2-{2-[4-(propan-2-yloxy)phenyl]quinazolin-4-yl}hydrazinylidene)methyl]phenol
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2ccccc2O)c2c(n1)cccc2)C

STK553324
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK553325
Synonyms: N~4~-(4-chlorophenyl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK553326
Synonyms: 2,4-dichloro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK553327
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C

STK553328
Synonyms: 4-{(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-2-(2-fluorophenyl)quinazoline
Smiles: COc1cc(ccc1OC)/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK553329
Synonyms: 4-[(2E)-2-benzylidenehydrazinyl]-2-(2-fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(N/N=C/c2ccccc2)c2c(n1)cccc2

STK553330
Synonyms: 7-[4-(benzylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NCc1ccccc1)c(c2)F

STK553332
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-[4-(2-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(/c1ccc(cc1)Br)\C

STK553333
Synonyms: (5Z)-5-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)cc(c2)C)/C1=O

STK553336
Synonyms: (8R,8aS,11aR)-10-(3-chlorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Cl)cccc3

STK553338
Synonyms: 2-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}-1H-benzimidazole
Smiles: CC(c1ccc(cc1)/C=N/Nc1nc2c([nH]1)cccc2)C

STK553341
Synonyms: 2-(methoxycarbonyl)phenyl4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)Cl

STK553342
Synonyms: 2-{[4-(4-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}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3)NCCc1ccccc1

STK553343
Synonyms: 12-propyl-9-(propylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: CCCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC)CCCC3

STK553344
Synonyms: (8R,8aS,11aR)-N-(4-chlorophenyl)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)cccc3

STK553345
Synonyms: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-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)c1cccc(c1)C)SCC(=O)c1ccc(cc1)F)C

STK553347
Synonyms: 2-[(2-methylbenzyl)sulfanyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK553349
Synonyms: ethyl{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK553350
Synonyms: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-(2-oxopyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1=O

STK553351
Synonyms: N-(2,3,5,6-tetrafluoropyridin-4-yl)morpholin-4-amine
Smiles: Fc1c(F)nc(c(c1NN1CCOCC1)F)F

STK553352
Synonyms: methyl2-imino-10-methyl-5-oxo-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COC(=O)c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C

STK553354
Synonyms: ethyl4-[2-amino-3-(hexylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoate
Smiles: CCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C(=O)OCC

STK553355
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[3-(2-methoxyphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2OC)/C1=O

STK553356
Synonyms: 1-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: COc1ccc(cc1Cl)n1c(nc2c1nc1ccccc1n2)c1cccs1

STK553358
Synonyms: (5Z)-5-({1-[3-(4-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(cc2)Cl)/C1=O

STK553360
Synonyms: 2-(4-chlorophenyl)-3-[6-(4-methylphenoxy)hexyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl

STK553361
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553362
Synonyms: 4-{10-methyl-6-[(3-methylphenyl)amino]-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)O)O)C)c1ccccc1

STK553363
Synonyms: 4-(methylsulfanyl)-2-phenyl-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(nc2c1c1CC(OCc1s2)C(C)C)c1ccccc1

STK553364
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/c1cccn1C

STK553365
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK553366
Synonyms: 6-iodo-3-(2-methoxyphenyl)-2-(pentylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK553367
Synonyms: methyl5-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COc1ccc(cc1)N1N=C(C2C1C(=O)N(C2=O)c1ccccc1OC)C(=O)OC

STK553368
Synonyms: N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]-3,5-dinitrobenzamide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK553370
Synonyms: N,N-dibutyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553371
Synonyms: 4-[4-(biphenyl-4-yloxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
Smiles: [O-][N+](=O)c1c(Oc2ccc(cc2)c2ccccc2)nc(nc1C)N1CCOCC1

STK553374
Synonyms: (4aS,4bR,7aS,8R)-6-(4-nitrophenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc(c1)[N+](=O)[O-]

STK553375
Synonyms: 4-(3,4-dimethoxyphenyl)-2-methyl-3-propanoyl-5H-indeno[1,2-b]pyridin-5-one
Smiles: COc1cc(ccc1OC)c1c(C(=O)CC)c(C)nc2c1C(=O)c1c2cccc1

STK553379
Synonyms: N~4~-(2-fluorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK553380
Synonyms: (2'R,3'R)-2'-(2,3-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1cccc(c1OC)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK553381
Synonyms: 1-(2-hydroxyethyl)-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: OCCn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C

STK553382
Synonyms: ethyl(2E,3E)-3-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-(hydroxyimino)butanoate
Smiles: CCOC(=O)/C(=N/O)/C(=N/NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/C

STK553385
Synonyms: 1,3-diphenyl-3-(piperidin-1-yl)propan-1-one
Smiles: O=C(c1ccccc1)CC(c1ccccc1)N1CCCCC1

STK553386
Synonyms: 1-(3-chloro-4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COc1ccc(cc1Cl)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C

STK553387
Synonyms: (5Z)-2-[(2-bromophenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK553389
Synonyms: (8R,8aS,11aR)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK553390
Synonyms: 1-(4-chlorophenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)c3ccc(cc3)Cl)nc(nc1s2)SC

STK553391
Synonyms: (2Z)-2-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2ccc(cc2)Cl)/c(=O)n1c1ccccc1)/C(=O)NCc1ccco1

STK553392
Synonyms: N-(3-chloro-4-methoxyphenyl)-11-(2,3-dimethoxyphenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1c(OC)cccc1C1n2c(=Nc3c1c(C)nn3c1ccccn1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK553393
Synonyms: 2-methoxyethyl2-amino-1-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCN(C)C

STK553395
Synonyms: 5-(furan-2-yl)-3-(4-methoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=S)Nc1ccccc1

STK553396
Synonyms: 4-{(E)-2-cyano-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]ethenyl}phenylacetate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cccc2c1cccc2

STK553398
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK553399
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)cccc3)C)/C1=O

STK553400
Synonyms: 5-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-2-hydroxybenzoicacid
Smiles: N#C/C(=C\Nc1ccc(c(c1)C(=O)O)O)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK553401
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc(c2)C)/C1=O)C

STK553402
Synonyms: 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone
Smiles: CSc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK553403
Synonyms: (5Z)-5-({1-[3-(4-ethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK553404
Synonyms: (2'R,3'R)-N-(4-chlorophenyl)-2'-(4-nitrophenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK553405
Synonyms: N-(2,4-dichlorophenyl)-2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK553407
Synonyms: 4-{4-[2-(benzyloxy)ethoxy]but-2-yn-1-yl}morpholine
Smiles: C(OCc1ccccc1)COCC#CCN1CCOCC1

STK553408
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-6-iodo-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cc(Br)ccc1O)c1cccc2c1cccc2

STK553410
Synonyms: (3a'R,8a'S,8b'S)-2'-(3-chlorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK553413
Synonyms: 2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)NC(CCc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)C

STK553414
Synonyms: 2-[4-(4-bromophenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)Br)c2c(n1)cccc2

STK553415
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)c1c(C)cc(=O)oc1C

STK553416
Synonyms: 1-{2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone
Smiles: COc1nc(Nc2sc(c(n2)C)C(=O)C)nc(c1)C

STK553417
Synonyms: 5-(4-chlorophenyl)-3-[5-(4-nitrophenyl)thiophen-2-yl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(s1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK553418
Synonyms: 4-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/c1scc(n1)c1ccc(cc1)CC(C)C

STK553420
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553424
Synonyms: 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-phenylpropanamide
Smiles: CCCn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK553426
Synonyms: 2-(4-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK553427
Synonyms: 4-[(E)-{2-[2-(2-fluorophenyl)quinazolin-4-yl]hydrazinylidene}methyl]-2-methylbenzene-1,3-diol
Smiles: Fc1ccccc1c1nc(N/N=C/c2ccc(c(c2O)C)O)c2c(n1)cccc2

STK553428
Synonyms: 1-benzyl-3,6,7-triphenyl-1,4-dihydroimidazo[2,1-c][1,2,4]triazine
Smiles: c1ccc(cc1)CN1N=C(Cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccccc1

STK553431
Synonyms: N-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK553434
Synonyms: 3-{2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl}-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1ccc(cc1Cl)Br

STK553435
Synonyms: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
Smiles: OC(CN1C(=O)c2c(C1=O)cccc2)COc1ccc(cc1)Cl

STK553436
Synonyms: 8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylacetonitrile
Smiles: N#CCc1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK553437
Synonyms: 4-bromo-2-{10-methyl-6-[(3-methylphenyl)amino]-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1)O

STK553438
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2cc(C)cc(c2)C)/C1=O

STK553440
Synonyms: 2,2'-[(2E)-but-2-ene-1,4-diyldisulfanediyl]bis(4-methyl-N-phenyl-1,3-thiazole-5-carboxamide)
Smiles: O=C(c1sc(nc1C)SC/C=C/CSc1nc(c(s1)C(=O)Nc1ccccc1)C)Nc1ccccc1

STK553442
Synonyms: ethyl5-bromo-3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccc(cc1)F)cc(cc2)Br

STK553443
Synonyms: (3a'R,8a'S,8b'S)-2'-phenyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: O=C1N(c2ccccc2)C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK553444
Synonyms: 3-ethyl-6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK553445
Synonyms: (2E)-3-(4-bromophenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)NC(=O)/C=C/c1ccc(cc1)Br

STK553446
Synonyms: N-(4-chlorophenyl)-2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)COc1ccc2c(c1C)oc(=O)cc2C

STK553448
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1)Br

STK553450
Synonyms: 3-(furan-2-ylmethyl)-2-[(2-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK553451
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK553452
Synonyms: 3-(1,3-benzodioxol-5-ylmethyl)-11-(3-chlorophenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1cccc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK553453
Synonyms: 4-[4-(benzyloxy)phenyl]-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1ccc(cc1)OCc1ccccc1

STK553454
Synonyms: 1,4-bis[(4-fluorobenzyl)oxy]-3,3,6,6-tetramethylpiperazine-2,5-dione
Smiles: O=C1N(OCc2ccc(cc2)F)C(C)(C)C(=O)N(C1(C)C)OCc1ccc(cc1)F

STK553456
Synonyms: tert-butyl(8R,8aS,11aR)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)OC(C)(C)C

STK553457
Synonyms: 1-(4-chlorophenyl)-2-[(5-phenyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK553458
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-1-(2-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COc1ccccc1Cn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK553459
Synonyms: N-(2-chlorobenzyl)-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: Fc1cc2CCC(n3c2c(c1)c(O)c(c3=O)C(=O)NCc1ccccc1Cl)C

STK553462
Synonyms: 7-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: C/C(=C\CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C)/Cl

STK553468
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK553469
Synonyms: benzyl{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1cccs1

STK553470
Synonyms: 3-(3-nitrophenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK553471
Synonyms: N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxo-2H-chromene-3-carboxamide
Smiles: O=C(c1cc2ccccc2oc1=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK553472
Synonyms: N-[4-(acetylamino)phenyl]-2-[(4,7,7-trimethyl-5-oxo-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: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

STK553473
Synonyms: N-(3-chloro-4-methylphenyl)-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)Cl)C)nc2c1cccc2)c1ccccc1

STK553475
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-(4-phenylcyclohexylidene)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C/1\CCC(CC1)c1ccccc1

STK553477
Synonyms: 4-(5-chloro-3,6-difluoro-4-{2-[4-(morpholin-4-yl)butoxy]phenoxy}pyridin-2-yl)morpholine
Smiles: Clc1c(F)nc(c(c1Oc1ccccc1OCCCCN1CCOCC1)F)N1CCOCC1

STK553478
Synonyms: N~4~-(2-fluorophenyl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(nc(nc1N)N(C)C)Nc1ccccc1F

STK553479
Synonyms: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC

STK553480
Synonyms: 6-ethyl-12-hexyl-9-(hexylsulfanyl)-6-methyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC1(C)CC

STK553481
Synonyms: (4bR,7aS,8R)-6-(3-chlorophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK553483
Synonyms: ethyl3-[(E)-(4-methylpiperidin-1-yl)diazenyl]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCC(CC1)C)cccc2

STK553484
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2F)/C1=O

STK553485
Synonyms: 8-[(2,6-dichlorobenzyl)sulfanyl]-5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1cccc(c1CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)Cl

STK553487
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)C)/C1=O)C

STK553488
Synonyms: N-(2-phenylethyl)-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)NCCc1ccccc1

STK553489
Synonyms: ethyl(2'R,3'R,5S)-1-benzyl-2'-(4-methoxyphenyl)-2,4,6-trioxo-1,2',3,3',4,6-hexahydro-2H,10b'H-spiro[pyrimidine-5,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)OC)C(=O)NC(=O)N(C2=O)Cc1ccccc1)cccc3

STK553490
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3)CCC

STK553491
Synonyms: (4bR,7aS,8R)-6-(4-acetylphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK553492
Synonyms: 2-cyano-2-{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-hexylacetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK553493
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(2E)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-ylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C(/CC(c1ccc(o1)C)(C)C)\C

STK553495
Synonyms: tert-butyl(2'R,3'R)-2'-(2,5-dimethoxyphenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: COc1ccc(c(c1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)OC

STK553496
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)C

STK553497
Synonyms: N~6~-(2,5-dichlorophenyl)-N~4~,N~4~-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: Clc1ccc(c(c1)Nc1cc(N(C)C)c2c(c1[N+](=O)[O-])non2)Cl

STK553502
Synonyms: 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C)NCCc1ccccc1

STK553503
Synonyms: 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1Cl)I

STK553504
Synonyms: (4aS,4bR,7aS,8R)-6-(2,4-dichlorophenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553506
Synonyms: N-(4-bromophenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553507
Synonyms: 1-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1)F

STK553509
Synonyms: 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK553510
Synonyms: (5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK553511
Synonyms: 6-propyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(N)c2c(n1)sc1c2CC(OC1)CCC

STK553512
Synonyms: 3-(4-methoxyphenyl)-6,6-dimethyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK553513
Synonyms: 2-[(3-methylbutyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK553514
Synonyms: 2-(2-{[4-(4-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}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCCN1C(=O)c2c(C1=O)cccc2

STK553515
Synonyms: 11-[4-(dimethylamino)phenyl]-10-methyl-8-phenyl-N-[3-(trifluoromethyl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CN(c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C(F)(F)F)c1ccccc1)C

STK553517
Synonyms: methyl2-[(3aR,6aS)-3-(3-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK553520
Synonyms: (2Z)-N-(2-chlorophenyl)-2-cyano-2-[(5E)-5-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccc(o2)c2cccc(c2Cl)Cl)/c(=O)n1c1ccccc1)/C(=O)Nc1ccccc1Cl

STK553521
Synonyms: 1,4-bis(2,6-difluorobenzyl)piperazine
Smiles: Fc1cccc(c1CN1CCN(CC1)Cc1c(F)cccc1F)F

STK553522
Synonyms: methyl[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK553523
Synonyms: (5Z)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-chloro-4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Br)C)/C1=O

STK553525
Synonyms: (8S,8aR,11aS,11bS)-10-(3-bromophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK553527
Synonyms: ethyl4-[2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-iodo-4-oxoquinazolin-3(4H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cc(cc2)I

STK553528
Synonyms: (2E)-3-(4-chlorophenyl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)Cl)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK553529
Synonyms: 7,8-dimethoxy-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)CCN1CCOCC1

STK553531
Synonyms: 2-{[6-iodo-3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: CC(=C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK553532
Synonyms: 11-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1

STK553533
Synonyms: N-(2-{(2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazinyl}-2-oxoethyl)-2-(4-chlorophenyl)acetamide(non-preferredname)
Smiles: O=C(CNC(=O)Cc1ccc(cc1)Cl)N/N=C/c1cc(Br)ccc1OCc1ccccc1

STK553534
Synonyms: 4-chloro-N-{[2-(piperidin-1-yl)quinolin-3-yl]methyl}aniline
Smiles: Clc1ccc(cc1)NCc1cc2ccccc2nc1N1CCCCC1

STK553535
Synonyms: ethyl3-{[3-(4-benzylpiperazin-1-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)cc(cc2)OC

STK553536
Synonyms: ethyl1-{3-[1-cyano-2-oxo-2-(propan-2-yloxy)ethyl]quinoxalin-2-yl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C(=O)OC(C)C)C#N

STK553538
Synonyms: 4-[5-(4-methoxyphenyl)-3'-(4-methylphenyl)-1'-phenyl-4,5-dihydro-1H,1'H-3,4'-bipyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCC(=O)O)c1cn(nc1c1ccc(cc1)C)c1ccccc1

STK553539
Synonyms: 2-(methylsulfanyl)-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SC

STK553540
Synonyms: 3-amino-6,6-dimethyl-2-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)c1nc2sc3c(c2c(=O)n1N)CC(OC3)(C)C

STK553541
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-(2,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cc(OC)ccc2OC)/C1=O)CC

STK553542
Synonyms: 2-{[(4-chlorophenyl)sulfonyl]amino}-N-(2-phenylethyl)-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NCCc2ccccc2)c2c(n1CC1CCCO1)nc1c(n2)cccc1

STK553543
Synonyms: ethyl7-[(thiomorpholin-4-ylacetyl)amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCSCC1)cc1c(c2)OCO1

STK553545
Synonyms: 2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C)NCCc1ccccc1

STK553548
Synonyms: N-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN(CC(C)C)CC(C)C)O

STK553551
Synonyms: 2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)NCCc1ccccc1

STK553552
Synonyms: 3-benzyl-6-iodo-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N1CCCCC1)Cc1ccccc1

STK553553
Synonyms: 1-[3-(furan-2-yl)-4-methylpentyl]-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: CC(C(c1ccco1)CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1)C

STK553554
Synonyms: (8S,8aR)-6-amino-8-(3,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cc(OC)cc(c1)OC)C(C(=C2C#N)N)(C#N)C#N

STK553555
Synonyms: N-(3-methoxyphenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK553556
Synonyms: 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1F)CCCN1CCOCC1

STK553557
Synonyms: 9'-bromo-2'-(2-fluorophenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccccc1F

STK553560
Synonyms: N-(3,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nc2c(c1=O)cccc2

STK553561
Synonyms: 4-{(1E)-2-(acetylamino)-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: COc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

STK553562
Synonyms: ethyl4-({[4-(4-fluorophenyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccc(cc1)F)c(OC)cc2)C

STK553564
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553565
Synonyms: 9-bromo-5-(4-bromophenyl)-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(cc1)Br

STK553566
Synonyms: 2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)-N-phenylacetamide
Smiles: O=C(Cn1c(C)c(Br)c(=O)c2c1c(C)ccc2)Nc1ccccc1

STK553568
Synonyms: 8-chloro-3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK553569
Synonyms: 4-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCc1s2

STK553570
Synonyms: [(4-bromophenyl)sulfonyl]{3-[1-(3-methylbutyl)-1H-3,1-benzimidazol-3-ium-3-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}azanide
Smiles: CC(CCn1c[n+](c2c1cccc2)C1=C([N-]S(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2)C

STK553571
Synonyms: methyl6-methoxy-3-{[(4,6,6-trimethyl-2-azabicyclo[2.2.1]hept-2-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COc1ccc2c(c1)[nH]c(c2NC(=O)CN1CC2(CC1C(C2)(C)C)C)C(=O)OC

STK553572
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)C

STK553573
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553574
Synonyms: ethyl5-bromo-3-{[N-(1,3-thiazol-2-yl)glycyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nccs1)cc(cc2)Br

STK553575
Synonyms: (9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-3-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccccc1Cl)CN(C/C/3=C\c1ccccc1Cl)C

STK553579
Synonyms: 3-(4-chlorophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)c1CCCc1s2

STK553581
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(3-methoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC

STK553582
Synonyms: diethyl2-amino-3,4-dicyano-7-(4-methoxyphenyl)-5-oxo-6,7-dihydro-5H-chromene-6,8-dicarboxylate
Smiles: CCOC(=O)C1C(=O)C2=C(C#N)C(=C(OC2=C(C1c1ccc(cc1)OC)C(=O)OCC)N)C#N

STK553584
Synonyms: 5-(2-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1

STK553585
Synonyms: 3-{4-(4-bromophenyl)-5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2ccccc2Cl)nnc1c1cccnc1

STK553587
Synonyms: ethyl4-{[(4-benzylpiperidin-1-yl)acetyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCC(CC1)Cc1ccccc1)c(OC)cc2)C

STK553589
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1cccnc1

STK553590
Synonyms: methyl{[3-(2-methoxy-2-oxoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)OC

STK553591
Synonyms: [1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl](pyrrolidin-1-yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)N1CCCC1

STK553592
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553593
Synonyms: 2-amino-N-(3-methoxypropyl)-1-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CC(C)C

STK553595
Synonyms: 4-acetyl-3-hydroxy-5-(4-methylphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)C)O

STK553597
Synonyms: 2-[(3-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)c1CCCc1s2

STK553598
Synonyms: ethyl(1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK553599
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK553600
Synonyms: N-(2-ethyl-6-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nc2c(c1=O)cccc2

STK553601
Synonyms: N-[3-(4-benzylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-4-bromobenzenesulfonamide
Smiles: Brc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2

STK553603
Synonyms: 1-(4-bromophenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK553604
Synonyms: 2-bromo-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1NC(=O)c1ccccc1Br

STK553606
Synonyms: 3-tert-butyl-7-{[3-(2-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCCN1CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK553607
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)OC

STK553608
Synonyms: N-(1H-indazol-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)[nH]nc3)nc2c(c1=O)cccc2

STK553609
Synonyms: 5-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1C=C(Nc2n1ncn2)c1ccc(c(c1)OC)OC

STK553610
Synonyms: methyl4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553611
Synonyms: 3-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Fc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553613
Synonyms: {(2E)-2-[(2Z)-(5-ethoxy-5-oxopentan-2-ylidene)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl}aceticacid
Smiles: CCOC(=O)CC/C(=N\N=C/1\SC(C(=O)N1c1ccccc1)CC(=O)O)/C

STK553614
Synonyms: methyl2-{[4-(4-methoxyphenyl)butanoyl]amino}-4-methyl-5-phenylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CCCc2ccc(cc2)OC)sc(c1C)c1ccccc1

STK553615
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK553616
Synonyms: ethyl6-(bromomethyl)-4-(2-hydroxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(CBr)N(C)C(=O)NC1c1ccccc1O

STK553617
Synonyms: N-[4-({(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}carbonyl)phenyl]benzamide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)NC(=O)c1ccccc1)C

STK553618
Synonyms: 1-ethyl-2'-[4-(phenylsulfanyl)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Sc1ccccc1

STK553619
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nc2c(c1=O)c1CCCCc1s2

STK553620
Synonyms: N-{(4E)-8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-ylidene}-N'-phenylbenzene-1,4-diamine
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C)c1ccc(cc1)SC

STK553621
Synonyms: 6-butyl-9-(3,4-dichlorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(c(c2)Cl)Cl)n(nc1C)c1ccccc1

STK553622
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(2,3-dimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1c(OC)cccc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553623
Synonyms: 4-[(8S,8aR,11aS,11bS)-8-acetyl-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C

STK553624
Synonyms: (5Z)-5-(2,5-dimethoxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1)OC

STK553625
Synonyms: methyl(1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK553626
Synonyms: 2-amino-N-(4-chlorophenyl)-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK553628
Synonyms: (2Z)-3-[(2-chlorophenyl)amino]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1Cl)/c1scc(n1)c1ccc(cc1Cl)Cl

STK553630
Synonyms: (1'S,2'S,3a'R)-2'-(3,4-dimethoxyphenyl)-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(cc1OC)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK553631
Synonyms: (3aS,4R,9aS,9bR)-2-(2-methyl-4-nitrophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1C)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]

STK553632
Synonyms: ethyl2-methyl-4-[(4-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK553633
Synonyms: N-(3-chloro-4-fluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nc2c(c1=O)cccc2

STK553634
Synonyms: (2Z)-2-benzylidene-6-(2-chlorobenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1nc2s/c(=C\c3ccccc3)/c(=O)n2nc1Cc1ccccc1Cl

STK553636
Synonyms: 2-chloro-N-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1ccccc1Cl

STK553637
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553638
Synonyms: (1'S,2'S)-2'-(2,4-dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(c(c1)OC)[C@@H]1[C@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK553640
Synonyms: 3-(4-methylphenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc3c2cccc3)nc2c(c1=O)cccc2

STK553641
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(naphthalen-2-yl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)Nc1ccc(cc1)Cl

STK553643
Synonyms: (4aR,4bS,7aR,8S)-6-(3-bromophenyl)-N-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Br)Nc1ccc(cc1)Cl

STK553644
Synonyms: 3-[(2-phenylethyl)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(c1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCCc1ccccc1)C

STK553645
Synonyms: methyl2-{[3-(3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc2c1CCCC2

STK553647
Synonyms: (9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-3-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2Cl)/C2=C(C1)C(c1ccccc1Cl)n1c(=N2)scc1c1ccc(cc1)Cl

STK553648
Synonyms: 1-(3-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
Smiles: O=C(Nc1cccc(c1)Cl)NCCc1c[nH]c2c1cccc2

STK553649
Synonyms: 3-(4-ethoxyphenyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)c1CCCCc1s2

STK553650
Synonyms: (2Z)-2-[4-(diethylamino)benzylidene]-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCN(c1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC)CC

STK553651
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NC(=O)C

STK553652
Synonyms: 9,9-dimethyl-3-(methylsulfanyl)-5-phenyl-8,11-dihydro-9H-pyrano[3',4':4,5]thieno[3,2-d][1,2,4]triazolo[4,3-b]pyridazin-6(5H)-one
Smiles: CSc1nnc2n1n(c1ccccc1)c(=O)c1c2c2COC(Cc2s1)(C)C

STK553653
Synonyms: 7'-methoxy-1-(propan-2-yl)-2'-(thiophen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1cccs1

STK553654
Synonyms: methyl3-{[2-(4-benzylpiperidin-1-yl)propanoyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)ccc(c2)OC

STK553655
Synonyms: 2'-(2-chlorophenyl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccccc1Cl

STK553656
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1cccc(c1)[N+](=O)[O-])/c2=O

STK553657
Synonyms: (2'S,3S,3'S,10b'R)-3'-(phenylcarbonyl)-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3)c1ccccc1

STK553658
Synonyms: 4-phenyl-7-(propan-2-ylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Sc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)C

STK553662
Synonyms: 3-{4-(4-bromophenyl)-5-[(4-tert-butylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1cccnc1

STK553664
Synonyms: methyl4-{(Z)-[6-(3,4-dimethoxybenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC

STK553665
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553666
Synonyms: 6-butyl-9-(3-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2)Cl)n(nc1C)c1ccccc1

STK553667
Synonyms: 2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)-N-(4-methylphenyl)acetamide
Smiles: O=C(Cn1c(C)c(Br)c(=O)c2c1c(C)ccc2)Nc1ccc(cc1)C

STK553668
Synonyms: N-(2-bromophenyl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK553669
Synonyms: (3aS,4R,9aS,9bR)-2-(4-methoxyphenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)OC)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553670
Synonyms: methyl3-[(N-cyclohexyl-N-methylglycyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN(C1CCCCC1)C)ccc(c2)OC

STK553671
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK553672
Synonyms: 1-(2,4-dimethylphenyl)-3-[hydroxy(phenyl)amino]pyrrolidine-2,5-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK553673
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK553675
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK553676
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-[4-(propan-2-yl)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1nc2s/c(=C\c3ccc(cc3)C(C)C)/c(=O)n2nc1Cc1ccccc1Cl

STK553677
Synonyms: methyl3-({[4-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK553679
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553680
Synonyms: 3-butyl-6-chloro-10-(2,3-dimethylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2C)C)cccc1Cl

STK553682
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc2c(c1)OCCO2

STK553683
Synonyms: 4-butoxy-2-ethyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCOc1nc(CC)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK553684
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK553685
Synonyms: 1-methyl-7-{[3-(2-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCCN1CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK553686
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1c1ccncc1

STK553687
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1c1ccc(cc1)C(C)(C)C

STK553690
Synonyms: ethyl1-{3-[(3-tert-butyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK553691
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553692
Synonyms: methyl(1'S,2'S)-2'-(4-bromophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: COC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1

STK553693
Synonyms: 2-{[6-iodo-3-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)cc(cc2)I

STK553694
Synonyms: 7-(4-fluorophenyl)-9-(4-methylphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)C)c1c(CC2)cccc1

STK553695
Synonyms: N-[2-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]benzamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nc(NC(=O)c2ccccc2)c2c(n1)sc1c2CCC1

STK553697
Synonyms: N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCCOc1nc(nc(n1)N(C)C)N(C)C

STK553698
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK553701
Synonyms: methyl6-methoxy-3-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)ccc(c2)OC

STK553702
Synonyms: N,11-bis(3-methoxyphenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)OC)c(nn1c1ccccn1)C

STK553703
Synonyms: (2Z)-2-(4-tert-butylbenzylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)C(C)(C)C)/c2=O

STK553705
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(2,4-dichlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1ccc(c(c1)Cl)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553706
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1cccnc1

STK553707
Synonyms: 11-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1OC)OC)C)c1ccccc1

STK553708
Synonyms: 3-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK553709
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(3-methoxyphenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK553711
Synonyms: (3-nitrophenyl)[(1S,2R,3S,3aR)-2-phenyl-3-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: O=C([C@@H]1[C@@H](c2ccccc2)[C@@H]([C@@H]2N1c1ccccc1C=C2)C(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK553712
Synonyms: 3-butyl-6-chloro-10-(2,4-dimethylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2C)C)cccc1Cl

STK553713
Synonyms: 1-(4-fluorophenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK553714
Synonyms: ethyl4-{[(4-ethylpiperazin-1-yl)acetyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2c(NC(=O)CN3CCN(CC3)CC)c(OC)ccc2n(c1C)C

STK553716
Synonyms: 3-(4-bromophenyl)-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)C)nc2c(c1=O)c1CCCCc1s2

STK553717
Synonyms: ethyl4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)c(OC)cc2)C

STK553719
Synonyms: ethyl1-acetyl-7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)OC)C(=O)C

STK553720
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-8-(propan-2-ylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)C

STK553721
Synonyms: N-(4-bromo-2-methylphenyl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK553722
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553723
Synonyms: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK553726
Synonyms: 7,9-dichloro-2-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1ccncc1)Cl

STK553727
Synonyms: (3aS,4R,9aS,9bR)-2-(2-methoxy-5-nitrophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cc(ccc1OC)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]

STK553728
Synonyms: 7-[(2-chlorobenzyl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1ccccc1CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK553729
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553730
Synonyms: N-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]-2,4,6-trimethylaniline
Smiles: Cc1cc(C)c(c(c1)C)NCc1ccc(cc1)N1N=C(C(C1c1ccccc1)(C)C)c1ccccc1

STK553731
Synonyms: 2-chloro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK553732
Synonyms: 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
Smiles: CC1CN=C(S1)N(C(=O)Nc1ccccc1)Cc1ccccc1

STK553734
Synonyms: 1-(4-bromophenyl)-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]ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK553737
Synonyms: methyl6-methoxy-3-[(thiomorpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCSCC1)ccc(c2)OC

STK553738
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-fluorophenyl)carbonyl]-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK553740
Synonyms: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)OC)OC

STK553741
Synonyms: 5-(3-chloro-2-methylphenyl)-3-[4-(dimethylamino)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(C(=O)N1c1cccc(c1C)Cl)ON(C2c1ccc(cc1)N(C)C)c1ccccc1

STK553742
Synonyms: 1-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)C2C=Cc3c(N2C(C1c1ccco1)C(=O)C(C)(C)C)cccc3

STK553744
Synonyms: 3-(4-chlorophenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCc2cccc3c2cccc3)nc2c(c1=O)cccc2

STK553748
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553749
Synonyms: 7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK553750
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nc2c(c1=O)c1CCCCc1s2

STK553751
Synonyms: (1'S,2'S,3R,3a'R)-1'-(phenylcarbonyl)-2'-(pyridin-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)c1ccccc1

STK553752
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-methoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553753
Synonyms: 9-chloro-2-phenyl-5-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccnc1)c1ccccc1

STK553754
Synonyms: (5Z)-2-[(2,4-dimethylphenyl)amino]-5-(2-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1C)C

STK553756
Synonyms: N-(2,6-dichlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK553757
Synonyms: (2E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC

STK553758
Synonyms: (2Z)-2-(3,4-dichlorobenzylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(c(c1)Cl)Cl)/c2=O

STK553761
Synonyms: 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)sc(c2C)C)NCc1cccnc1

STK553762
Synonyms: N-(3-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Br)nnc1c1cccnc1

STK553764
Synonyms: (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)Br)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553765
Synonyms: 3-(4-ethoxyphenyl)-2-[(4-fluorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)F)nc2c(c1=O)cccc2

STK553766
Synonyms: N-(3-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK553767
Synonyms: 3-[4-(dimethylamino)phenyl]-5-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK553768
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nc2c(c1=O)cccc2

STK553769
Synonyms: N-(3-methoxyphenyl)-10-methyl-11-(3-nitrophenyl)-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccn1)C

STK553770
Synonyms: methyl(1S,2S,3S)-3-cyano-1-[(3-nitrophenyl)carbonyl]-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553771
Synonyms: 3-(3-ethoxypropyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK553772
Synonyms: 2'-[4-(difluoromethoxy)phenyl]-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1)F

STK553773
Synonyms: methyl4-{[(2E)-3-(3,4-diethoxyphenyl)-2-{[(2-methylphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoate
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)OC)/NC(=O)c1ccccc1C

STK553774
Synonyms: N-(3,4-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1c1cccnc1

STK553775
Synonyms: (5Z)-2-(4-chlorophenyl)-5-(3,4-diethoxybenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: CCOc1cc(ccc1OCC)/C=C/1\N=C(N(C1=O)c1ccccc1)c1ccc(cc1)Cl

STK553776
Synonyms: N-benzyl-1-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]methanamine
Smiles: CC1(C)C(c2ccccc2)N(N=C1c1ccccc1)c1ccc(cc1)CNCc1ccccc1

STK553777
Synonyms: 7-(4-methoxyphenyl)-9-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])c1c(CC2)cccc1

STK553778
Synonyms: 2,3-diphenyl-5-(2,4,6-trimethylphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1

STK553782
Synonyms: N-(2-ethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC

STK553783
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Fc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553784
Synonyms: 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone
Smiles: [O-][N+](=O)[C@H]1[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1c1ccccc1C=N2)C(=O)C

STK553785
Synonyms: N-(3-chloro-4-fluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK553786
Synonyms: 5-(4-bromophenyl)-3-butyl-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1

STK553789
Synonyms: 7-methoxy-2-phenyl-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cccc2c1OC(c1ccncc1)N1C2CC(=N1)c1ccccc1

STK553790
Synonyms: S-[4-(diethylamino)phenyl]hydrogensulfurothioate
Smiles: CCN(c1ccc(cc1)SS(=O)(=O)O)CC

STK553791
Synonyms: ethyl1-{3-[(8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK553792
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dimethylphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C

STK553793
Synonyms: 7'-methoxy-2'-(3-methoxyphenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1cccc(c1)OC

STK553794
Synonyms: (2E)-N-[5-(4-methoxybenzyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Smiles: COc1ccc(cc1)Cc1cnc(s1)NC(=O)/C=C/c1cccc(c1)C(F)(F)F

STK553795
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553796
Synonyms: 3-(4-hydroxyphenyl)-5-(naphthalen-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2

STK553797
Synonyms: 3-(4-chlorophenyl)-2-[(2,6-dichlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)cccc2

STK553799
Synonyms: (2Z)-2-(3-bromobenzylidene)-6-(2-chlorobenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Brc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553800
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(C)cc(c1)C

STK553801
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK553804
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3,4-dichlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1cc(ccc1Cl)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553805
Synonyms: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)CSc1nc2c(s1)cccc2

STK553806
Synonyms: 2'-(3,4-dimethoxyphenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)OC)OC

STK553807
Synonyms: 3-(4-chlorophenyl)-2-[(2-fluorobenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2F)nc2c(c1=O)c1CCCc1s2

STK553808
Synonyms: (5Z)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: CCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/s2

STK553809
Synonyms: methyl(1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553811
Synonyms: (2Z)-2-{3-chloro-4-[3-(4-ethylphenoxy)propoxy]-5-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: CCc1ccc(cc1)OCCCOc1c(Cl)cc(cc1OC)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK553813
Synonyms: 7-{[3-(2-ethylpiperidin-1-yl)propyl]amino}-1-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CCC1CCCCN1CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK553814
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cc(ccc1C)[N+](=O)[O-]

STK553815
Synonyms: 7-{[3-(3,3-dimethylpiperidin-1-yl)propyl]amino}-1-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3c(C)cccc3oc1cc2NCCCN1CCCC(C1)(C)C

STK553816
Synonyms: N-(3-bromophenyl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK553817
Synonyms: 1-benzyl-2'-(pyridin-3-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cccnc1

STK553819
Synonyms: methyl3-{[3-(4-benzylpiperazin-1-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)cc(cc2)F

STK553820
Synonyms: methyl5-bromo-3-({[(1R,2S)-2-phenylcyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1)cc(cc2)Br

STK553822
Synonyms: 2-(2-methyl-4-oxoquinolin-1(4H)-yl)-N-phenylacetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccccc1

STK553823
Synonyms: methyl2-{[3-(3-methylphenoxy)propanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc2c1CCC2

STK553824
Synonyms: 6-butyl-3-methyl-1-phenyl-9-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2)C(F)(F)F)n(nc1C)c1ccccc1

STK553825
Synonyms: (2Z)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(o1)c1ccccc1Cl)/c2=O

STK553826
Synonyms: 3-(benzyloxy)-2-(benzylsulfanyl)quinazolin-4(3H)-one
Smiles: O=c1c2ccccc2nc(n1OCc1ccccc1)SCc1ccccc1

STK553827
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK553828
Synonyms: 3-[hydroxy(phenyl)amino]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK553829
Synonyms: 8-imino-5-(morpholin-4-yl)-1,3,4,8-tetrahydro-2H-[1,3]thiazino[4',5':4,5]thieno[2,3-c]isoquinoline-10-thiol
Smiles: Sc1sc(=N)c2c(n1)c1c(s2)nc(c2c1CCCC2)N1CCOCC1

STK553830
Synonyms: N-(3-bromophenyl)-2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553832
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553833
Synonyms: 7,9-dichloro-2-phenyl-5-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1cc(Cl)c2c(c1)C1CC(=NN1C(O2)c1cccnc1)c1ccccc1

STK553834
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(4-methylbenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Cc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK553835
Synonyms: N-(naphthalen-1-yl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK553836
Synonyms: (4aR,4bS,7aR,8S)-6-(4-bromophenyl)-N-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK553837
Synonyms: 1-phenyl-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: O=C(c1ccccc1)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK553838
Synonyms: 8-(furan-2-ylmethyl)-1,3-dimethyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3Cc2ccco2)C23CC4CC(C3)CC(C2)C4)n(c(=O)n1C)C

STK553839
Synonyms: (1'S,2'S)-2'-(3,4-dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(cc1OC)[C@@H]1[C@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK553840
Synonyms: 3,3'-(hydroxyimino)bis[1-(naphthalen-2-yl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc2c(c1)cccc2)C1CC(=O)N(C1=O)c1ccc2c(c1)cccc2

STK553843
Synonyms: 9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)OC(F)F)Br

STK553844
Synonyms: 3-(4-chlorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1cccc(c1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553846
Synonyms: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2c(F)cccc2Cl)nc2c(c1=O)c1CCCCc1s2

STK553847
Synonyms: butyl4-[(6aS,6bR,9aS,10R)-10-[(3-nitrophenyl)carbonyl]-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553848
Synonyms: methyl3-{[3-(2,6-dimethylmorpholin-4-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)OC(C1)C)cc(cc2)F

STK553850
Synonyms: ethyl5-methoxy-1,2-dimethyl-4-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccn1)c(OC)cc2)C

STK553851
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553853
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(2,3-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1OC)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK553854
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1cc(OC)c(cc1C)[N+](=O)[O-])/C#N

STK553855
Synonyms: 9'-bromo-2'-(4-chlorophenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccc(cc1)Cl

STK553856
Synonyms: methyl3-({[4-(2-fluorophenyl)piperazin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccc1F)ccc(c2)OC

STK553857
Synonyms: 3-tert-butyl-7-{[3-(2,6-dimethylmorpholin-4-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CN(CCCNc2cc3oc4cc(ccc4[nH]c3c3c2c(=O)c2c(c3=O)cccc2)C(C)(C)C)CC(O1)C

STK553858
Synonyms: (2Z)-2-(4-{3-[4-(butan-2-yl)phenoxy]propoxy}-3-methoxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: CCC(c1ccc(cc1)OCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)C

STK553860
Synonyms: dimethyl5-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: COc1ccc(cc1)/C=C/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC

STK553861
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(4-fluorophenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK553862
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK553863
Synonyms: methyl[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK553865
Synonyms: 5-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(C=C2C(=O)N(C)C(=O)N(C2=O)C)cc(c1OCc1cccc2c1cccc2)I

STK553866
Synonyms: 6-butyl-9-(2,3-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2C)C)n(nc1C)c1ccccc1

STK553867
Synonyms: 7-{[3-(2-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCCN1CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O