FULL DB

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

STK579005
Synonyms: N-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]quinolin-2-amine
Smiles: Clc1ccc(cc1)n1nc(cc1Nc1ccc2c(n1)cccc2)C

STK579006
Synonyms: 4-(2-methylpropyl)-7-(pyrrolidin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3N1CCCC1)C

STK579007
Synonyms: {3-[4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}aceticacid
Smiles: OC(=O)Cc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)CC(=O)O

STK579008
Synonyms: 1-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc(Br)ccc1O)c1ccccc1n2

STK579009
Synonyms: 9-(2,4-dimethoxyphenyl)-6-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK579011
Synonyms: N-[(2Z)-3-(2,5-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1cc(OC)ccc1OC)CS(=O)(=O)C2

STK579013
Synonyms: (1'R,2'R)-7'-chloro-2'-(2,5-dimethoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Cl)OC

STK579014
Synonyms: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl{[(benzyloxy)carbonyl]amino}(phenyl)acetate
Smiles: O=C(NC(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1)OCc1ccccc1

STK579015
Synonyms: 3-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-1-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)C(C)C)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK579016
Synonyms: 2-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}butan-1-ol
Smiles: CCC(Nc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CO

STK579017
Synonyms: 7-chloro-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)ccc(c1)Cl

STK579019
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-ethoxyphenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579020
Synonyms: N-[(2E)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
Smiles: Cc1ccc(cc1)c1cs/c(=N/C(=O)CCn2c(=O)sc3c2cccc3)/[nH]1

STK579021
Synonyms: (6Z)-2-(furan-2-yl)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1coc2c(c1=O)cccc2)c1ccco1

STK579022
Synonyms: 1-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc(cc1)N(C)C)c1ccccc1n2

STK579024
Synonyms: 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCCCc1nc2c(c(=O)n1c1ccccc1)c(=O)c1c(n2C)cccc1

STK579025
Synonyms: 1-(4-methoxyphenyl)-7-methyl-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579026
Synonyms: 7-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: C=CCSc1nc(=O)c2c(n1C)N=C(CC2c1ccc(cc1)O)O

STK579029
Synonyms: N-(2,5-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1cccc(c1)C

STK579030
Synonyms: (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)F)C

STK579031
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-(butan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2)C

STK579032
Synonyms: 8-methoxy-5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: SCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)OC

STK579033
Synonyms: 1-[3-(benzyloxy)phenyl]-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1noc(c1)C

STK579035
Synonyms: 2-(4-fluorophenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccc(cc1)F

STK579036
Synonyms: 6-chloro-2-oxo-4-propyl-2H-chromen-7-ylN-[(4-methylphenyl)sulfonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCC)NS(=O)(=O)c1ccc(cc1)C

STK579037
Synonyms: 1-(biphenyl-4-yl)-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc(cc1)c1ccccc1

STK579038
Synonyms: ethyl2-({[(3-fluorophenyl)carbonyl]carbamothioyl}amino)-4-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1C(C)C)NC(=S)NC(=O)c1cccc(c1)F

STK579039
Synonyms: N-(3-bromophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1cccc(c1)Br

STK579040
Synonyms: ethyl4-{[({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK579042
Synonyms: 4-[(Z)-(7-iminio-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=C/2\C(=O)N=c3n(C2=[NH2+])oc(c3)C)cc(c1[O-])OC

STK579043
Synonyms: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)/N=c/2\scc([nH]2)c2ccccc2)ccc1OCc1ccccc1

STK579047
Synonyms: 5-(4-fluorophenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK579048
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK579051
Synonyms: 2-chloro-7-methyl-3-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)Cl

STK579052
Synonyms: (3a'S,6a'R)-5'-butyl-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cccc2

STK579053
Synonyms: 3-{(3R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-[2-(trifluoromethyl)phenyl]-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1C(F)(F)F)C(=O)Nc1c2cccc1

STK579054
Synonyms: 2-(2-chlorobenzyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccccc1CN1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK579056
Synonyms: (3R,3'S,5'R)-5-fluoro-N-(4-methoxyphenyl)-2-oxo-5'-(propan-2-yl)-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(F)cc1)C(C)C

STK579057
Synonyms: ethyl[1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1ccco1)c1ccccc1)C(F)(F)F

STK579058
Synonyms: 8-benzyl-N-(furan-2-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2n1nnn2

STK579059
Synonyms: 5-(4-methoxyphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK579060
Synonyms: 4-butyl-6-chloro-2-oxo-2H-chromen-7-ylN-[(4-methylphenyl)sulfonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NS(=O)(=O)c1ccc(cc1)C

STK579061
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccccc1N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK579062
Synonyms: N-(3-bromophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK579063
Synonyms: 2,2-dichloro-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: O=C(C(Cl)Cl)/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-]

STK579064
Synonyms: 3-{(2E)-2-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
Smiles: Cc1nn(c(c1/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1)C)Cc1ccccc1

STK579065
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl)cccc2

STK579066
Synonyms: 7-(2-ethoxyethyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(CN2CCN(CC2)CC)nc2c1c(=O)n(c(=O)n2C)C

STK579067
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N

STK579068
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)(C)C)OCC

STK579069
Synonyms: 1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)O

STK579070
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK579072
Synonyms: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-4H-thiochromen-2-yl]-2-fluorobenzamide
Smiles: O=C(c1ccccc1F)Nc1sc2ccccc2c(=O)c1c1ccc2c(c1)OCO2

STK579073
Synonyms: 8-[(2,5-dibromophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Brc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1)Br

STK579076
Synonyms: N'-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-chlorobenzohydrazide
Smiles: CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)/C1=O)S)C

STK579078
Synonyms: (3a'S,6a'R)-5-chloro-5'-(2-methoxyethyl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Cl)cc2

STK579080
Synonyms: N-(3,4-difluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CCn1nnc2c(c1=O)cccc2

STK579081
Synonyms: (3R,3'S,5'S)-N-(4-methoxyphenyl)-5,7-dimethyl-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)CC(C)C

STK579082
Synonyms: 1-(4-ethoxyphenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579083
Synonyms: 8-(4-methylpiperazin-1-yl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)C

STK579086
Synonyms: 10-(2-methylpropyl)-2,7,8,9-tetrahydro-3H-cyclopenta[4',5']pyrido[3',2':4,5]furo[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncn1c3n[nH]c1=S)C

STK579087
Synonyms: (1S,2S)-N'-{(E)-[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK579088
Synonyms: N-(2-methoxyethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK579090
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)F

STK579092
Synonyms: [4-(4-methoxyphenyl)piperazin-1-yl](4,5,6-trimethoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC

STK579094
Synonyms: 9-(5-methyl-1,2-oxazol-3-yl)-8-phenyl-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)c2ccccc2cc1

STK579095
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-yl4-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: O=C(OCc1ccccc1)NCCCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1

STK579097
Synonyms: (4Z)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-[(2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK579098
Synonyms: 6'-hydroxy-2,4-dimethyl-8-nitro-3'-phenyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccccc1)O)[N+](=O)[O-]

STK579099
Synonyms: 4-hydroxy-1,7-dimethyl-8-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: C=CCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579100
Synonyms: 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)F

STK579102
Synonyms: 8-(3-methoxyphenyl)-1,6,7-trimethyl-3-(2-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cccc(c1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCc1ccccc1

STK579103
Synonyms: N-[3-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-S-benzyl-D-cysteine
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCC(=O)N[C@@H](C(=O)O)CSCc1ccccc1

STK579104
Synonyms: 4-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: N(=C\c1ccc2c(c1)nccn2)/Nc1ncnc2c1c1CCCCc1s2

STK579106
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C)OCC

STK579108
Synonyms: 6-(2-chloro-6-fluorobenzyl)-9-fluoro-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Fc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1c(F)cccc1Cl

STK579109
Synonyms: [(benzylamino)(phenyl)methyl](2-phenylethyl)phosphinicacid
Smiles: OP(=O)(C(c1ccccc1)NCc1ccccc1)CCc1ccccc1

STK579110
Synonyms: 4-hydroxy-1,7-dimethyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CC1CCCO1)C)C

STK579111
Synonyms: 8-(5-chloro-2-methoxyphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C)Cl

STK579112
Synonyms: (3a'S,6a'R)-5'-benzyl-5-chloro-3'-(3,4-dihydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2

STK579113
Synonyms: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK579114
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK579115
Synonyms: N-(3-bromophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1cccc(c1)Br)CCCCCn1cnc2c(c1=O)cccc2

STK579117
Synonyms: (3E)-4-imino-3-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)c2ccccc2s3)cc(c1OC)OC

STK579118
Synonyms: 5-(5-chloro-2-methoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2)Cl

STK579120
Synonyms: N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3,4,9-tetrahydro-1H-carbazole-6-carbohydrazide
Smiles: COc1cc(/C=N\NC(=O)c2ccc3c(c2)c2CCCCc2[nH]3)cc(c1O)[N+](=O)[O-]

STK579124
Synonyms: 1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)NCC1CCCO1

STK579127
Synonyms: ethylN-({[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1ccccc1Cl

STK579128
Synonyms: 6-benzyl-2-[(3-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1cccc(c1)CNc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C

STK579129
Synonyms: 13-[5-(4-acetylphenyl)furan-2-yl]-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3ccc(o3)c3ccc(cc3)C(=O)C)c2cc1OC

STK579130
Synonyms: 2,2,5-trimethyl-N-(3-methylbutyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK579133
Synonyms: N-(3,5-dimethylphenyl)-6-(4-hydroxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: Oc1ccc(cc1)C1NC(=NC(=C1C(=O)Nc1cc(C)cc(c1)C)C)S

STK579135
Synonyms: 2-{4-[4-chloro-2-(prop-2-en-1-yl)phenoxy]quinazolin-2-yl}phenol
Smiles: C=CCc1cc(Cl)ccc1Oc1nc(nc2c1cccc2)c1ccccc1O

STK579136
Synonyms: (4Z)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STK579137
Synonyms: 3-benzyl-2-(4-tert-butylphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Cn1c2nc(c3ccc(cc3)C(C)(C)C)n(c(=O)c2c(=O)c2c1cccc2)Cc1ccccc1

STK579138
Synonyms: (1E,2E)-1-{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/C=C/c1ccccc1

STK579139
Synonyms: (3a'S,6a'R)-5'-(2-methoxyethyl)-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cccc2

STK579140
Synonyms: (4E)-5-(2-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccccc1F

STK579141
Synonyms: 1-(4-chlorophenyl)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)Cl)c1noc(c1)C

STK579142
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK579143
Synonyms: (1S,2S)-2-phenyl-N'-[(E)-quinoxalin-6-ylmethylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc2c(c1)nccn2

STK579145
Synonyms: 3-(3,4-dimethoxyphenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O

STK579147
Synonyms: 1-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)OC)c1cccc(c1)C

STK579149
Synonyms: (3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5'-(3-methoxyphenyl)-5,7-dimethyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C

STK579150
Synonyms: 2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cc(OC)ccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK579153
Synonyms: N-methyl-4-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STK579154
Synonyms: (2E)-3-(4-chlorophenyl)-2-cyano-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/C(=O)/N=c\1/scc([nH]1)c1ccccc1

STK579155
Synonyms: (2E)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)-3-(thiophen-2-yl)prop-2-en-1-one
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)/C=C/c1cccs1

STK579157
Synonyms: 9-(2-chloro-6-fluorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one
Smiles: Fc1cccc(c1CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2)Cl

STK579158
Synonyms: 4-methoxy-N'-[(E)-(3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)c1cc2c([nH]1)cccc2OC

STK579159
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1cccc2c1cccc2

STK579161
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)Cl

STK579163
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4-ol
Smiles: Cc1nc(nc(c1C)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK579164
Synonyms: (3S)-N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2

STK579166
Synonyms: 6-(2-hydroxyphenyl)-9-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK579168
Synonyms: ethyl4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc2c(n1CC(=O)C)c(=O)n(c(=O)n2C)C

STK579170
Synonyms: {1-[3-(4-fluorophenoxy)propyl]-1H-benzimidazol-2-yl}(phenyl)methanol
Smiles: Fc1ccc(cc1)OCCCn1c(nc2c1cccc2)C(c1ccccc1)O

STK579176
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccccn1

STK579177
Synonyms: (3S)-N-{(1R)-2-[(4-methoxyphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK579180
Synonyms: N-[(2Z)-3-(2,6-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK579184
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579185
Synonyms: 4-methoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2cc(OC)ccc2[nH]c1=O

STK579186
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-[(E)-2-phenylethenyl]-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)/C=C/c1ccccc1

STK579188
Synonyms: 1-(biphenyl-4-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1COc1ccc(cc1)C

STK579189
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-7-methyl-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579191
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

STK579193
Synonyms: 1-{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK579195
Synonyms: 2-methoxyethyl2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)C(=O)OC)oc(cc2=O)CO

STK579196
Synonyms: 3-(3-chlorobenzyl)-8-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl

STK579197
Synonyms: (5E)-5-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1cc(Cl)cc(c1)n1c(C)cc(c1C)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK579198
Synonyms: 7-bromo-2-methyl-1-(pyridin-4-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccncc1)C

STK579202
Synonyms: 1-(4-fluorophenyl)-N-(3-methylphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccc(cc1)F

STK579204
Synonyms: N-(4-fluorophenyl)-4-methoxy-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc(cc1)F

STK579206
Synonyms: 7,7-dimethyl-4-[(3-methylbutyl)sulfanyl]-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CC(CCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)C

STK579208
Synonyms: {2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

STK579211
Synonyms: ethyl4-(2-formyl-4-nitrophenyl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ccc(cc1C=O)[N+](=O)[O-]

STK579212
Synonyms: 7-(2,3-dihydroxypropyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)O

STK579213
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-(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]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK579216
Synonyms: (3Z)-1-ethyl-3-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-1,3-dihydro-2H-indol-2-one
Smiles: CCN1C(=O)/C(=C/2\SC(=O)N=C2O)/c2c1cccc2

STK579217
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK579218
Synonyms: 4-chloro-N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK579219
Synonyms: 9-(4-fluorophenyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol
Smiles: Fc1ccc(cc1)c1cc(nc2c1c1nc(O)nc(c1s2)O)c1ccccc1

STK579220
Synonyms: N-[(2Z)-3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)Cl)CS(=O)(=O)C2

STK579221
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK579222
Synonyms: 2-methyl-3-pentylpyrimido[1,2-a]benzimidazol-4-ol
Smiles: CCCCCc1c(C)nc2n(c1O)c1ccccc1n2

STK579224
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STK579225
Synonyms: 6-benzyl-2-[(2-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: COc1ccccc1CNc1nn2c([nH]1)nc(c(c2=O)Cc1ccccc1)C

STK579226
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1c(C)nn(c1C)c1ccccc1

STK579227
Synonyms: 6-chloro-3,4-dimethyl-9-[2-methyl-6-(propan-2-yl)phenyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CC(c1cccc(c1N1COc2c(C1)c1oc(=O)c(c(c1cc2Cl)C)C)C)C

STK579229
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-fluorobenzyl)hexanamide
Smiles: O=C(NCc1ccc(cc1)F)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579230
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK579231
Synonyms: 9-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)OC

STK579232
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Fc1cc(F)cc(c1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)C

STK579236
Synonyms: 1-methyl-9-phenyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccccc1

STK579237
Synonyms: 2-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3

STK579238
Synonyms: (5E)-4-hydroxy-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C\C=C\c2ccccc2)/S1)O

STK579240
Synonyms: 4-(2-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-ol
Smiles: OC1=NC2=C(C(N1)c1ccccc1Cl)CCc1c2cccc1

STK579241
Synonyms: 3,4-dimethoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2ccc(cc2[nH]c1=O)C

STK579244
Synonyms: (2-benzyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-3-yl)(phenyl)methanone
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccccc1

STK579245
Synonyms: ethyl2-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)CN1CCc2c(C1C)cc(c(c2)OC)OC

STK579246
Synonyms: 4-{[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: COc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1c([O-])cc(c2)C

STK579247
Synonyms: (5Z)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-benzyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(/NCc2ccc3c(c2)OCO3)\C)/C(=O)N1Cc1ccccc1

STK579248
Synonyms: N-(2,4-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK579249
Synonyms: 1-(2-ethylphenyl)-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)C2(C1=O)CN(C)c1c(C2)cc(cc1)C

STK579250
Synonyms: 7-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: C=CCSc1nc(=O)c2c(n1C)N=C(CC2c1cc(OC)c(c(c1)OC)O)O

STK579251
Synonyms: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CCOC

STK579252
Synonyms: (4E)-5-(4-fluorophenyl)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)F

STK579253
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579255
Synonyms: 4-hydroxy-1,9-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: CN1CCCn2c1nc1c2c(O)nc(=O)n1C

STK579257
Synonyms: N-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Smiles: O=C(C1OC(=O)c2c(C1)cccc2)/N=c\1/[nH]nc(s1)SCc1ccccc1

STK579258
Synonyms: (2E)-N-[(2Z)-5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Smiles: COc1cc(CCNC(=O)CSc2n[nH]/c(=N/C(=O)/C=C/c3ccccc3)/s2)ccc1OC

STK579259
Synonyms: 4-hydroxy-2-(methylsulfanyl)-5-(4-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1)[N+](=O)[O-]

STK579261
Synonyms: (4E)-2-(3,4-dimethylphenyl)-4-[(1,3-thiazol-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/Nc2nccs2)/c2ccccc2C(=O)N1c1ccc(c(c1)C)C

STK579262
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCn1nnc2c(c1=O)cccc2

STK579263
Synonyms: 2-[4-(4-chloro-2-methylphenoxy)quinazolin-2-yl]phenol
Smiles: Clc1ccc(c(c1)C)Oc1nc(nc2c1cccc2)c1ccccc1O

STK579264
Synonyms: N-[(2E)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: C=CCN1/C(=N\C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK579268
Synonyms: (4E)-5-(3-butoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK579269
Synonyms: 5-methyl-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: C=CCc1c(C)nc2n(c1O)ncc2c1ccccc1

STK579270
Synonyms: (3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5'-(3-methylphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Cc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2

STK579271
Synonyms: 3-(1H-benzimidazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)CCn1cnc2c1cccc2

STK579272
Synonyms: 3-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CCn1c(O)nc2c(c1=O)cccc2

STK579273
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)Cl)F

STK579274
Synonyms: (3a'S,6a'R)-7-chloro-5'-(4-fluorobenzyl)-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2Cl

STK579275
Synonyms: methylN-[(3,4-dichlorophenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c(c1)Cl)Cl

STK579276
Synonyms: (5E)-5-{1-[(2-fluorophenyl)amino]ethylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C(/Nc1ccccc1F)\C)c1ccccc1C

STK579277
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: COc1cc(CCNC(=O)c2oc3c(c2C)C(=O)CC(C3)(C)C)ccc1OC

STK579279
Synonyms: 4-chloro-N-[(3Z)-6-methoxy-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)c1ccc(cc1)Cl)CC(C)C

STK579281
Synonyms: 1-[4-(acetylamino)phenyl]-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)CC1(/C=C/c1ccccc1)C(=O)NC1CCCC1

STK579282
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK579283
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-4-amine
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)Br

STK579285
Synonyms: (5Z)-5-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc2c(c1)c(=O)c(co2)/C=C/1\SC(=S)N(C1=O)C

STK579287
Synonyms: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4H-chromen-4-one
Smiles: OCCN1CCN(CC1)Cc1c(O)c(CC)cc2c1occ(c2=O)c1nc2c(s1)cccc2

STK579288
Synonyms: N-(2-ethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK579289
Synonyms: ethylN-({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1CC)c1cccc(c1)Cl

STK579290
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(3-methylphenyl)hexanamide
Smiles: O=C(Nc1cccc(c1)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579291
Synonyms: 3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: O=c1oc2c3CN(CCC4=CCCCC4)COc3ccc2c2c1CCCC2

STK579292
Synonyms: 4-({[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C#N

STK579295
Synonyms: 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(CC)CC

STK579296
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)C(C)C

STK579298
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK579302
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)C

STK579303
Synonyms: N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-5-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(cc1)OCCc1ccccc1)N/N=C/c1c(O)ccc2c1cccc2

STK579305
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1Cl)Cl

STK579306
Synonyms: 2-chloro-6-methyl-3-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK579308
Synonyms: 4-hydroxy-1-methyl-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: Oc1nc(=O)n(c2c1n1CCN(c1n2)c1ccc(cc1)Oc1ccccc1)C

STK579309
Synonyms: (2'S,3R,3'S,7a'S)-7''-chloro-2'-[(4-fluorophenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(C)cc3Cl)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

STK579310
Synonyms: N'-(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)-N,N-diethylethane-1,2-diamine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN(CC)CC

STK579311
Synonyms: 1-methyl-8-(2-methylphenyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1

STK579312
Synonyms: 7-chloro-1-(2-fluorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579313
Synonyms: 5-{2-[(2,2-dimethoxyethyl)(methyl)amino]-5-nitrobenzylidene}-1-(4-methylpentyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COC(CN(c1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)CCCC(C)C)[N+](=O)[O-])C)OC

STK579314
Synonyms: (5E)-3-benzyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O

STK579316
Synonyms: 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

STK579317
Synonyms: 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)Cn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2c1c(=O)n(c(=O)n2C)C

STK579319
Synonyms: ethyl(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK579320
Synonyms: (4E)-5-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2ccc(cc2)OCC)/C(=C(/c2ccc(cc2)OCC)\O)/C(=O)C1=O

STK579321
Synonyms: (3a'S,6a'R)-7-chloro-3'-(3,4-dihydroxybenzyl)-5'-(3-methoxypropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2Cl

STK579322
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK579323
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(Cl)ccc1C

STK579324
Synonyms: 1-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)propan-2-amine
Smiles: CC(CC1(CCOC(C1)(C)C)c1ccccc1)NCc1ccco1

STK579325
Synonyms: 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK579326
Synonyms: 2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579327
Synonyms: 8-(4-ethoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)C

STK579328
Synonyms: 5-butyl-3-cyclohexyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylpentanoate
Smiles: CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)C1CCCCC1

STK579329
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]-3-nitrobenzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK579331
Synonyms: N-(3-chlorophenyl)-2-hydroxy-7-(4-methoxyphenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)N=C(CC2C(=O)Nc1cccc(c1)Cl)O

STK579333
Synonyms: 3-(11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: Oc1cccc(c1)c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2

STK579335
Synonyms: 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O)C

STK579336
Synonyms: 8-(diethylamino)-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN(c1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C)CC

STK579338
Synonyms: (2S)-N-(3-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: Fc1cccc(c1)NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C(C)C

STK579340
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CC(C1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccccc1F)C

STK579341
Synonyms: (3R,3'S,5'R)-7-chloro-N-(4-methoxyphenyl)-5-methyl-5'-[2-(methylsulfanyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: CSCC[C@H]1C[C@@H]([C@]2(N1)C(=O)Nc1c2cc(C)cc1Cl)C(=O)Nc1ccc(cc1)OC

STK579342
Synonyms: N-(2-ethyl-6-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1)C

STK579346
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK579348
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK579350
Synonyms: 3-benzyl-2-cyclohexyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: O=c1n(Cc2ccccc2)c(nc2c1c(=O)c1c(s2)cccc1)C1CCCCC1

STK579352
Synonyms: 2-(4-fluorophenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)F

STK579353
Synonyms: 4-(4-chlorophenyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1Cc1cccs1

STK579355
Synonyms: 2-{[4-(3-chlorophenyl)-8-methyl-5-oxo-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)NCC1CCCO1)nn2)c1cccc(c1)Cl

STK579356
Synonyms: 1-phenyl-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1)C

STK579359
Synonyms: 4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(o1)C

STK579361
Synonyms: {2-[(3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK579362
Synonyms: (3S,3a'R,8a'S,8b'S)-7-chloro-2'-(4-chloro-2-methoxy-5-methylphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1cc(Cl)c(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl)C

STK579363
Synonyms: 2-(4-bromophenyl)-N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide
Smiles: O=C(Cc1ccc(cc1)Br)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK579364
Synonyms: 2-chloro-7-(4-methylphenyl)-10-(methylsulfanyl)-6-phenyl-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nn2c(=NC3=C(C2c2ccc(cc2)C)C(Oc2c3cc(Cl)cc2)c2ccccc2)[nH]1

STK579365
Synonyms: 12-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1c1ccccc1n2)(C)C

STK579366
Synonyms: 1-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1c(OC)cc(cc1OC)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)Cl

STK579367
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2

STK579369
Synonyms: (1'R,2'R)-1'-[(4-fluorophenyl)carbonyl]-2'-(pyridin-3-yl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccnc1)C(=O)c1c(C2=O)cccc1

STK579370
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1F

STK579371
Synonyms: 2-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579372
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(prop-2-en-1-yloxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1

STK579374
Synonyms: N-[(2S)-1-[(furan-2-ylmethyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)NCc1ccco1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK579375
Synonyms: N-(2-tert-butylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccccc1

STK579378
Synonyms: 1-amino-N-(4-methoxyphenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK579380
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl

STK579383
Synonyms: 5,7-dichloro-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK579385
Synonyms: N-(2-ethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK579386
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1COc1ccccc1

STK579388
Synonyms: N-{[(2Z)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}-4-(propan-2-yl)benzamide
Smiles: COc1ccc(cc1OC)c1cs/c(=N\C(=S)NC(=O)c2ccc(cc2)C(C)C)/[nH]1

STK579390
Synonyms: 1-tert-butyl4-(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1C)oc(=O)c1c2cccc1

STK579392
Synonyms: {[(4-fluorobenzyl)sulfanyl][(4-fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1ccc(cc1)F)C#N

STK579394
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)c1ccccc1Cl

STK579395
Synonyms: 3-[(3a'S,6a'R)-5-bromo-5'-(butan-2-yl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Br)cc2)C

STK579397
Synonyms: 1-(4-ethoxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)OC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579400
Synonyms: 5,6-dimethyl-7-(pyridin-3-yl)-N-(1,3-thiazol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(ncn2)Nc1nccs1)c1cccnc1

STK579401
Synonyms: 1-(2-methylphenyl)-6-(1-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2c1ccccc1C)S)c1ccccc1

STK579403
Synonyms: N-(furan-2-ylmethyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3)NCc1ccco1

STK579404
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-3-[4-(prop-2-en-1-yloxy)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: C=CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK579405
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccccc1C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579406
Synonyms: N-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-D-leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)NCC1CCCO1)C

STK579407
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccc(cc1)Cl

STK579408
Synonyms: 5-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCc1ccc(cc1)Cl

STK579409
Synonyms: 3-benzyl-6'-hydroxy-3'-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1c1ccccc1)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579411
Synonyms: 2-nitro-6-[(E)-{[2-(pyrrolidinium-1-yl)phenyl]imino}methyl]phenolate
Smiles: [O-][N+](=O)c1cccc(c1[O-])/C=N/c1ccccc1[NH+]1CCCC1

STK579412
Synonyms: methyl[2,4-dioxo-3-(2-phenylethyl)-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Smiles: COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)CCCCC3

STK579414
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-6-({2-[(3,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cc(Cl)cc(c1)Cl)O

STK579415
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK579416
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-{[3-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579417
Synonyms: (1Z)-4,4,6,8-tetramethyl-1-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: SC1=NC(=O)/C(=C/2\c3cc(C)cc4c3N(C2=O)C(C)(C)CC4(C)c2ccccc2)/S1

STK579418
Synonyms: 2-(3-benzyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3

STK579419
Synonyms: 8,8-dimethyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCC(=O)c1ccccc1)nn2

STK579420
Synonyms: 6'-amino-3'-ethyl-1-(3-methoxybenzyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: COc1cccc(c1)CN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(CC)n[nH]1)C#N

STK579422
Synonyms: N-cyclopentyl-2-(10-methoxy-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2CC(=O)NC1CCCC1

STK579423
Synonyms: N-(4-fluorophenyl)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK579424
Synonyms: 11-methyl-7-[(2-phenylethyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCCc1ccccc1)nn2

STK579425
Synonyms: 5-(2-methoxyphenyl)-4-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK579427
Synonyms: N-(furan-2-ylmethyl)-2-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)C)Cc1ccco1

STK579428
Synonyms: 4-[(4-chlorobenzyl)oxy]-N-[(4Z)-2-(3-methylphenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/N=c/1\[nH]c(nc2c1cccc2)c1cccc(c1)C

STK579430
Synonyms: 8-(2-methoxyphenyl)-1-methyl-3-(3-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STK579431
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-cyclopropylacetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NC1CC1

STK579432
Synonyms: N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK579433
Synonyms: 1-[8-methyl-10-phenyl-2-(pyridin-3-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1cccnc1

STK579434
Synonyms: 5-cyclohexyl-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(=S)[nH]nc1C1CCCCC1)OC

STK579435
Synonyms: 3-(4-chlorophenyl)-4-(4-nitrophenyl)-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: O=C1Nc2n[nH]c(c2C(C1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl

STK579436
Synonyms: N-(2,4-difluorophenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1c1ccccc1F

STK579437
Synonyms: 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK579441
Synonyms: 6-(3-chlorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Clc1cccc(c1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK579442
Synonyms: 8-(4-bromophenyl)-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Brc1ccc(cc1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579443
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-nitrophenyl)carbonyl]-2'-(phenylcarbonyl)-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)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)[N+](=O)[O-]

STK579445
Synonyms: 6-iodo-3-(4-methoxyphenyl)-2-[(E)-2-(pyridin-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccccn2)nc2c(c1=O)cc(cc2)I

STK579446
Synonyms: 6-chloro-2-[(3-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1cccc(c1)CNc1nn2c(n1)nc(c(c2O)Cl)C

STK579449
Synonyms: 3-(4-fluorophenyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)[N+](=O)[O-]

STK579451
Synonyms: N-(4-{[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1c(C)cccc1c2

STK579452
Synonyms: 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)F

STK579455
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl](4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCN(CC1)c1ccccc1F

STK579456
Synonyms: 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccccc1C(F)(F)F)c1[nH]nc(c1)C(C)(C)C

STK579459
Synonyms: 6-butyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCCc1c(C)nc2n(c1O)ncn2

STK579460
Synonyms: 4-(3-methoxyphenyl)-1-(4-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)C

STK579461
Synonyms: N-[(2Z)-3-(2,3-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1cccc(c1Cl)Cl)CS(=O)(=O)C2

STK579462
Synonyms: 1'-(3-chlorophenyl)-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Clc1cccc(c1)N1C(=O)NC(=O)C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1

STK579464
Synonyms: 5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2,6-dihydroxy-3-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Smiles: C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc2c(c1)OCO2)O

STK579465
Synonyms: (4-methylphenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Smiles: Cc1ccc(cc1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK579466
Synonyms: 3-(2-chlorobenzyl)-8-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK579469
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK579470
Synonyms: 4-[(2E)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1cn(c2c1cccc2)C(C)C

STK579471
Synonyms: N-[(2Z)-3-(3-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: O=C(C(C)C)/N=C/1\SC2C(N1c1cccc(c1)C(=O)C)CS(=O)(=O)C2

STK579472
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2

STK579473
Synonyms: 3-(3-chlorobenzyl)-1,6,7,8-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)C

STK579474
Synonyms: methyl4-{[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-4-oxobutanoate
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)OC)/c2c1nc1ccc(cc1c2)C

STK579475
Synonyms: N-[(2E)-4-tert-butyl-1,3-thiazol-2(3H)-ylidene]-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: O=C(/N=c\1/scc([nH]1)C(C)(C)C)CSc1nnc(o1)c1ccoc1C

STK579476
Synonyms: 7'-{(E)-[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trion
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK579477
Synonyms: 8-(4-benzylpiperazin-1-yl)-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1

STK579482
Synonyms: N-[3-(naphthalen-1-yl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)Nc1oc2ccccc2c(=O)c1c1cccc2c1cccc2

STK579483
Synonyms: N-(2-chloro-5-nitrophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

STK579484
Synonyms: 4-{[(E)-(2-fluorophenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F

STK579486
Synonyms: 5-(4-chlorophenyl)-10-(3-hydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cccc(c1)O

STK579487
Synonyms: 1-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)OC)SCC(=O)C(C)(C)C

STK579488
Synonyms: 1-(2,3-dimethylphenyl)-2-sulfanyl-6-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)CC1CCCO1)c1cccc(c1C)C

STK579489
Synonyms: (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: FC(Sc1ccc(cc1)N/C=C\1/c2ccccc2C(=O)N(C1=O)c1ccc(cc1C)C)F

STK579490
Synonyms: (3a'S,6a'R)-5-bromo-5'-(3-methoxypropyl)-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCSC)C(=O)Nc2c1cc(Br)cc2

STK579492
Synonyms: N-(2-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK579493
Synonyms: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc2c(c1)OCO2

STK579494
Synonyms: 8-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N/N=C(/c2ccc(cc2)Br)\C)nc2c1c(O)nc(=O)n2C)COc1ccccc1

STK579496
Synonyms: 8-{[bis(2-methoxyethyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)CCOC

STK579498
Synonyms: methylN-(dicyclohexylcarbamoyl)-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)CC(C)C

STK579499
Synonyms: 2-(2-fluorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butanamide
Smiles: CCC(C(=O)Nc1onc(c1)c1ccc(cc1)C)Oc1ccccc1F

STK579500
Synonyms: 6-hydroxy-3-methyl-8-(3-methylpiperidin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STK579501
Synonyms: 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccc(cc1)C

STK579502
Synonyms: 10-(2-hydroxy-4-methylphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(c(c1)O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK579504
Synonyms: 3-(4-fluorophenyl)-8-nitro-1',3'-dipropyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)[N+](=O)[O-]

STK579505
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1ccccc1F

STK579506
Synonyms: methylN-[(2-methylphenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccccc1C

STK579507
Synonyms: 6,7-dimethoxy-2-[(3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

STK579511
Synonyms: 2-(4-ethylphenoxy)-N-[(2E)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CCc1ccc(cc1)OCC(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK579512
Synonyms: (3a'S,6a'R)-5-bromo-5'-(2-methoxyethyl)-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cc(Br)cc2

STK579513
Synonyms: N-(biphenyl-2-yl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK579514
Synonyms: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)ccc(c1)C

STK579516
Synonyms: 1'-butyl-6-hydroxy-3-(4-methoxyphenyl)-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1)OC)O)[N+](=O)[O-]

STK579517
Synonyms: 2,9-dibenzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)Cc1ccccc1

STK579518
Synonyms: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK579519
Synonyms: 3-benzyl-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579520
Synonyms: (4Z)-4-{2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-4H-chromen-4-ylidene}-2-phenyl-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1CN1CCOCC1)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2)/c2c(O1)cccc2

STK579521
Synonyms: N-[(2Z)-5-[(4-chlorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)Cl

STK579522
Synonyms: N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(c(c1)Cl)F

STK579523
Synonyms: N-(3-bromophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK579524
Synonyms: 4-chloro-N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-N-methylbenzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccc2c(c1)nc1n2CCOC1)C

STK579526
Synonyms: 14-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCOc1c2)c1ccc(cc1)N(C)C

STK579527
Synonyms: 10,10-dimethyl-2-[4-(propan-2-yloxy)phenyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)C

STK579530
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1

STK579531
Synonyms: 2-{(E)-[(2E)-(4,6-dimethylpyrimidin-2(1H)-ylidene)hydrazinylidene]methyl}-3-hydroxy-5-phenylcyclohex-2-en-1-one
Smiles: Cc1cc(C)[nH]/c(=N\N=C\C2=C(O)CC(CC2=O)c2ccccc2)/n1

STK579532
Synonyms: (5E)-5-(1-{[4-(diethylamino)phenyl]amino}ethylidene)-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/C)CC

STK579533
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK579534
Synonyms: (4Z)-4-[(2,5-dimethoxyphenyl)imino]-6-(3-methyl-1-benzofuran-2-yl)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(c(c1)/N=c/1\nc(N)nc([nH]1)c1oc2c(c1C)cccc2)OC

STK579535
Synonyms: 2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK579537
Synonyms: 1',3,3',12-tetramethyl-2,3,4,4a-tetrahydro-1H,2'H,6H,7H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: CC1CCN2C(C1)C1(Cc3c2nc2c(C)cccn2c3=O)C(=O)N(C)C(=O)N(C1=O)C

STK579539
Synonyms: 2-cyano-N-cyclopropyl-2-[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCC1)C(=O)NC1CC1

STK579540
Synonyms: N-(4-butylphenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK579541
Synonyms: (5Z)-3-(4-fluorobenzyl)-6-hydroxy-5-({[2-(pyridin-3-yl)piperidin-1-yl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C/NN2CCCCC2c2cccnc2)/C1=O)O

STK579542
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK579545
Synonyms: 1-{1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CCN1CCN(CC1)c1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK579546
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK579547
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-furan-2-ylmethylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccco1

STK579548
Synonyms: 4-(4-ethylpiperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK579549
Synonyms: 4,5-dimethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2OC)OC

STK579550
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1C)C

STK579554
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-chlorophenyl)carbonyl]-3'-[(2,4-dichlorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2Cl)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579555
Synonyms: 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N'-[(4-methylphenyl)sulfonyl]butanehydrazide
Smiles: O=C(NNS(=O)(=O)c1ccc(cc1)C)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK579556
Synonyms: 4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK579557
Synonyms: 2-(ethylsulfanyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)C

STK579558
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-naphthalen-1-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc2c1cccc2

STK579559
Synonyms: N-(furan-2-ylmethyl)-2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetamide
Smiles: O=C(NCc1ccco1)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK579561
Synonyms: (1'S,3R,3'S,7a'S)-5''-fluoro-1'-(phenylcarbonyl)-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Fc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK579562
Synonyms: 4-(3-chloro-4-fluorophenyl)-5-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)Cc1n[nH]c(=S)n1c1ccc(c(c1)Cl)F

STK579563
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1Br)C

STK579564
Synonyms: 11-chloro-3-(2,4,6-trimethylphenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: Cc1cc(C)c(c(c1)C)N1COc2c(C1)c1oc(=O)c3c(c1cc2Cl)CCC3

STK579565
Synonyms: 2-methoxy-6-{4-[4-(propan-2-yloxy)phenoxy]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)OC(C)C)c2c(n1)cccc2

STK579566
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK579568
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(4-methylphenyl)ethanamide
Smiles: COc1cc2/C(=C/C(=O)Nc3ccc(cc3)C)/NCCc2cc1OC

STK579573
Synonyms: 5-(3-chlorophenyl)-4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK579574
Synonyms: 6-amino-5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-methylpyrimidin-2(1H)-one
Smiles: Cn1c(=O)nc(c(c1N)Sc1nc2c(s1)cccc2)O

STK579575
Synonyms: (2E)-2-{(2Z)-[1-(biphenyl-4-yl)ethylidene]hydrazinylidene}-4-(4-chlorophenyl)-2,3-dihydro-1,3-thiazole
Smiles: Clc1ccc(cc1)c1cs/c(=N/N=C(\c2ccc(cc2)c2ccccc2)/C)/[nH]1

STK579576
Synonyms: 3-(furan-2-ylmethyl)-1-[2-(piperidin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: O=c1c2c3CCCCCc3sc2n(c(=O)n1Cc1ccco1)CCN1CCCCC1

STK579577
Synonyms: N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK579583
Synonyms: (5E)-1-butyl-5-({[2-(diethylamino)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NCCN(CC)CC)/C1=O)S

STK579584
Synonyms: 5-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccccc1c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK579586
Synonyms: (2E)-N-[(2E)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(furan-2-yl)prop-2-enamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N\C(=O)/C=C/c2ccco2)/s1

STK579587
Synonyms: (4E)-1-butyl-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(c(c1)OC)OC

STK579588
Synonyms: (3a'S,6a'R)-5'-(3,4-dimethylphenyl)-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: O=C1N(c2ccc(c(c2)C)C)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cccc2

STK579592
Synonyms: N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(=O)Nc1cc(Cl)ccc1n1ncnc1

STK579593
Synonyms: 2-methoxy-4-[(E)-{[3-(pyridin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK579595
Synonyms: N-(furan-2-ylmethyl)-6-methoxy-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N(Cc1ccco1)CC1CCCO1

STK579597
Synonyms: 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}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK579598
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1cccc(c1OC)OC

STK579599
Synonyms: 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyrazine
Smiles: c1ccc(cc1)n1c(nnc1c1cnccn1)SCc1ccccc1

STK579600
Synonyms: (5Z)-5-[5-(3,4-dimethoxyphenyl)-1-phenylpyrazolidin-3-ylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C/2\CC(N(N2)c2ccccc2)c2ccc(c(c2)OC)OC)/C1=O)O

STK579602
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK579603
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK579604
Synonyms: 1-(2,4-dimethylphenyl)-3-(4-hydroxy-6-methylpyrimidin-2-yl)guanidine
Smiles: N=C(Nc1ccc(cc1C)C)Nc1nc(C)cc(n1)O

STK579606
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-[(E)-(2,6-dichlorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl

STK579607
Synonyms: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1C/C=C(\Cl)/C)c(=O)n(c(=O)n2C)C

STK579608
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK579609
Synonyms: 6-chloro-4-{[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: Clc1cccc(c1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK579610
Synonyms: N-(3-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cccc(c1)Br

STK579611
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C)C

STK579613
Synonyms: N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)C

STK579614
Synonyms: 3-[10-(4-hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)O)sc(=O)[nH]1

STK579615
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccco1)/O

STK579616
Synonyms: 2-[(3a'S,6a'R)-5'-benzyl-5-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cc(Cl)cc1

STK579617
Synonyms: N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexanamide
Smiles: CCCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1cccc(c1)C

STK579618
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579619
Synonyms: 1-(4-ethylphenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1)cc3c1ccc(cc1)C

STK579620
Synonyms: 8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)C)C

STK579621
Synonyms: 3-[(3-fluorobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(nnc1SCc1cccc(c1)F)COc1ccc(cc1)C

STK579622
Synonyms: N-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)c1cccc(c1)Cl

STK579624
Synonyms: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CN(CC(C1)C)Cc1nc2c(n1CC(=O)C)c(=O)n(c(=O)n2C)C

STK579625
Synonyms: 10-fluoro-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CN1CCN2C(C1)C1(Cc3c2c(F)ccc3)C(=O)N(C)C(=O)N(C1=O)C

STK579626
Synonyms: N-[(2-methylphenyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccccc1C)C

STK579629
Synonyms: N-[(2,4-dimethylphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1C)C

STK579631
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccc(cc1)Cl

STK579633
Synonyms: (4E)-2-(2,4-dimethoxyphenyl)-4-{[(3-methylbutyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/NCCC(C)C)/c2c(C1=O)cccc2

STK579635
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NCCc1ccccc1

STK579636
Synonyms: 2-(benzylsulfanyl)-5-hydroxy-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(=C(O)CCC2)C1c1cccs1

STK579637
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK579639
Synonyms: 1-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1nccnc1

STK579641
Synonyms: 8-(4-bromophenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Brc1ccc(cc1)n1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C

STK579646
Synonyms: 7-(butan-2-ylsulfanyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: CCC(Sc1cc(C)nc2n1nc(c2c1ccc(cc1)Cl)C)C

STK579647
Synonyms: 3-(2-phenylethyl)-2-(piperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1n(CCc2ccccc2)c(nc2c1c1CCCCCc1s2)N1CCNCC1

STK579648
Synonyms: N-[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: CC(CC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2)C

STK579649
Synonyms: 8-fluoro-5-methyl-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCN1CCOCC1

STK579650
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-[3-(propan-2-yloxy)propyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCCCOC(C)C

STK579651
Synonyms: 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK579652
Synonyms: 4-hydroxy-1-methyl-8-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: Oc1nc(=O)n(c2c1n1CCN(c1n2)c1ccccc1)C

STK579653
Synonyms: 2-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1)C1CC(Nc2n1nc(n2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)OC

STK579657
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1C)c1cccc(c1)Cl

STK579659
Synonyms: 3-[(3R,3'S,3a'S,6a'R)-6-chloro-5'-(3-chlorophenyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C(=O)Nc1c2ccc(c1C)Cl

STK579661
Synonyms: (3a'S,6a'R)-5-bromo-3'-(2-methylpropyl)-5'-(2-phenylethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Br)cc1)C

STK579662
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1cccc(c1)OC

STK579663
Synonyms: ethyl4-[3-(3-hydroxypropyl)-1-methyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)C(=O)OCC

STK579664
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(4-ethylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK579666
Synonyms: 4-({N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-D-phenylalanyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@@H](C(=O)NCCCC(=O)O)Cc1ccccc1

STK579668
Synonyms: N-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)benzamide
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCC1)NC(=O)c1ccccc1

STK579669
Synonyms: 4-hydroxy-6-methyl-5-(naphthalen-1-ylmethyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1nc2[nH]n(c(=O)c2c(c1Cc1cccc2c1cccc2)O)c1ccccc1

STK579671
Synonyms: 2-bromo-N'-{3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1Br)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK579673
Synonyms: 1-ethyl-4-(4-ethylpiperazin-1-yl)-3-nitroquinolin-2(1H)-one
Smiles: CCN1CCN(CC1)c1c2ccccc2n(c(=O)c1[N+](=O)[O-])CC

STK579674
Synonyms: 2-[4-(difluoromethoxy)-3-methoxyphenyl]-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(c(c1)OC)OC(F)F

STK579675
Synonyms: 4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1

STK579676
Synonyms: 2-chloro-N-[3-(2-fluorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]benzamide
Smiles: Clc1ccccc1C(=O)Nc1c(c2ccccc2F)c(=O)c2c(n1C)cccc2

STK579678
Synonyms: N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Brc1cccc(c1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK579679
Synonyms: 8-[(4-methylpiperidinium-1-yl)methyl]-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F

STK579680
Synonyms: N-(3-chlorophenyl)-2-{[2-(3-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)CC(OC2)(C)C

STK579681
Synonyms: [1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl](morpholin-4-yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)N1CCOCC1

STK579682
Synonyms: 2-(3-{(E)-[4-hydroxy-2,6-dioxo-1-(thiophen-2-ylmethyl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1cccs1)O)NCC1CCCO1

STK579685
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-(piperazin-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)N1CCNCC1)c1cccc(c1)Cl

STK579687
Synonyms: 1-(4-fluorophenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579688
Synonyms: 6,9-diphenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)ncn3)CC(C1)c1ccccc1

STK579689
Synonyms: 5-methyl-7-(4-methylpiperazin-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F

STK579692
Synonyms: 8-(2-methoxyethyl)-1,7-dimethyl-3-(3-phenylpropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK579693
Synonyms: 2-hydroxy-1-(4-methoxyphenyl)-6-(2-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK579694
Synonyms: 1-(3-chlorophenyl)-6-cyclohexyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK579697
Synonyms: 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK579698
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK579700
Synonyms: 4-phenyl-9-(pyridin-3-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)Cc1cccnc1

STK579701
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK579702
Synonyms: (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STK579703
Synonyms: 1'-ethyl-6'-nitro-2'-phenyl-1-(propan-2-yl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=O)N(C2=O)C(C)C)[N+](=O)[O-]

STK579704
Synonyms: 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-propylpropanamide
Smiles: CCCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579705
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,4-dichlorophenyl)carbonyl]-3'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)cccc3

STK579706
Synonyms: (6E)-6-{[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-5-imino-2-(morpholin-4-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)c1nc2n(c1/C=C\1/C(=O)N=c3n(C1=N)nc(s3)N1CCOCC1)ccs2

STK579708
Synonyms: 7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK579711
Synonyms: N-[7-(4-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
Smiles: Cc1ccc(cc1)C1CC(Nc2n1nc(n2)NS(=O)(=O)c1ccccc1)c1ccccc1

STK579712
Synonyms: 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
Smiles: CCCCCCCCCCSc1n[nH]c(n1)c1ccc(c(c1)OC)OC

STK579714
Synonyms: 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

STK579717
Synonyms: 1-[2-(4-methoxybenzyl)-8-methyl-10-phenyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccccc1)C(=O)C)C

STK579718
Synonyms: 2-hydroxy-1-(4-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(C)C

STK579719
Synonyms: N-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK579720
Synonyms: 2-[7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]phenol
Smiles: Cc1cccc(c1)n1ncc2c1ncn1c2nnc1c1ccccc1O

STK579721
Synonyms: 3,3-dimethyl-16-phenyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccccc1

STK579722
Synonyms: (2E)-[2-(2-methylquinolin-4-yl)hydrazinylidene]ethanoicacid
Smiles: OC(=O)/C=N/Nc1cc(C)nc2c1cccc2

STK579724
Synonyms: 9-(3,5-difluorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(cc(c1)F)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccc(cc1)[N+](=O)[O-]

STK579725
Synonyms: N-(2-bromo-4-methylphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: Cc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1Br)C

STK579726
Synonyms: N-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579727
Synonyms: (4E)-5-(2-fluorophenyl)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STK579729
Synonyms: 8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK579731
Synonyms: 2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)NCCc2ccccc2)c2c(n1)CC(OC2)(C)C

STK579732
Synonyms: N-[(2E)-3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2)CCCc1ccccc1

STK579733
Synonyms: 8-(4-ethoxyphenyl)-1-methyl-3-(2-methylprop-2-en-1-yl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK579734
Synonyms: 3-benzyl-1'-methyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579735
Synonyms: (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C/c1c[nH]c2c1cccc2)ccc(c3)S(=O)(=O)C

STK579736
Synonyms: methyl(1-{7-methyl-4-oxo-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)/C1=O

STK579737
Synonyms: 1-(2,5-dimethoxyphenyl)-7-methyl-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(c(c1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C)OC

STK579738
Synonyms: N-[4-(acetylamino)phenyl]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK579739
Synonyms: (1S,2S)-N'-{(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OCc1cccc2c1cccc2

STK579740
Synonyms: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl[(tert-butoxycarbonyl)amino](phenyl)acetate
Smiles: O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3

STK579743
Synonyms: 2-amino-1-(2,5-dimethylphenyl)-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK579744
Synonyms: (5E)-6-hydroxy-3-phenyl-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCN2CCCCC2)/C(=O)N1c1ccccc1

STK579745
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(4-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK579746
Synonyms: N-[(2Z)-3-(2,4-difluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Fc1ccc(c(c1)F)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK579747
Synonyms: (4Z)-4-[(2-methoxyphenyl)imino]-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c\1/[nH]c(CN2CCN(CC2)c2ccccc2OC)nc(n1)N

STK579748
Synonyms: 1-[2-(dimethylamino)ethyl]-3-(2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CN(CCn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)CCCCC3)C

STK579750
Synonyms: N-(4-ethoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OCC)COc1ccccc1

STK579752
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(naphthalen-2-yloxy)propyl]-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)COc1ccc2c(c1)cccc2

STK579754
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dimethoxyphenyl)carbonyl]-2'-[(4-fluorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK579756
Synonyms: 3-(3-chlorophenyl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SC/C=C/c1ccccc1

STK579757
Synonyms: N'-[(1E)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/C

STK579758
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
Smiles: CC(CN(C(=O)c1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK579759
Synonyms: [4-(3-chlorophenyl)piperazin-1-yl](4,5,6-trimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCN(CC1)c1cccc(c1)Cl

STK579760
Synonyms: (1Z)-8-ethyl-1-(2-hydroxy-4-oxo-1,3-thiazol-5(4H)-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: CCc1cc2C(C)CC(N3c2c(c1)/C(=C\1/SC(=NC1=O)O)/C3=O)(C)C

STK579761
Synonyms: 4-[(dibutylammonio)methyl]-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCCC[NH+](Cc1cc(=O)oc2c1ccc(c2C)[O-])CCCC

STK579763
Synonyms: 9-[3-(1H-imidazol-1-yl)propyl]-7-(4-methylphenyl)-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
Smiles: Cc1ccc(cc1)C1c2c(ncn(c2=N)CCCn2ccnc2)Oc2c1ccc1c2cccc1

STK579764
Synonyms: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK579766
Synonyms: 1-(3-chlorophenyl)-2-hydroxy-6-(2-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK579768
Synonyms: 2-{4-(4-methoxyphenyl)-5-[(3-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: COc1ccc(cc1)n1c(nnc1c1ccccn1)SCc1cccc(c1)C

STK579769
Synonyms: 3-[(3-fluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1cccc(c1)OC

STK579770
Synonyms: N-(3-chlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccccc1)c1cnccn1

STK579771
Synonyms: 1-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK579772
Synonyms: ethyl4-(8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK579774
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccs1

STK579775
Synonyms: 5-(2-ethyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-3-(4-fluorobenzyl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)O)[nH]c1c2cccc1

STK579776
Synonyms: (3S)-N-[(2R)-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)Nc1ccc(cc1)C(C)C

STK579777
Synonyms: (4E)-5-(2-chlorophenyl)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1Cl

STK579778
Synonyms: (E)-N-{[8-(3-chlorophenyl)-10-methyl-11-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-(4-methoxyphenyl)methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c(C)nn2c1cccc(c1)Cl

STK579781
Synonyms: 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK579783
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-5-chloro-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2)C

STK579784
Synonyms: 1-(4-ethylphenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579785
Synonyms: methylN-(butan-2-ylcarbamoyl)-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NC(CC)C

STK579786
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2)C

STK579788
Synonyms: 1-tert-butyl4-(2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

STK579789
Synonyms: 7-bromo-1-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK579791
Synonyms: 4-({S-benzyl-N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-cysteinyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)N[C@@H](C(=O)NCCCC(=O)O)CSCc1ccccc1

STK579793
Synonyms: 5-hydroxy-4-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(cc1)OC

STK579795
Synonyms: 2-chloro-N-[(1Z)-1-{1-cyano-2-[(4-methylbenzyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C(=O)NCc1ccc(cc1)C

STK579797
Synonyms: 1-{4-[(2-chlorobenzyl)oxy]phenyl}-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)OCc1ccccc1Cl)c1noc(c1)C

STK579798
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK579799
Synonyms: (3S,3'R,3a'R,6a'S)-3'-[(4-chlorophenyl)(hydroxy)methyl]-5'-[2-(3,4-dimethoxyphenyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1cc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(N[C@H]3[C@@H](c3ccc(cc3)Cl)O)C(=O)Nc3c2cccc3)ccc1OC

STK579800
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK579803
Synonyms: 5-{3-[(2-chlorobenzyl)oxy]phenyl}-N'-[(E)-phenylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1Cl)N/N=C/c1ccccc1

STK579806
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)c1ccc(cc1)[N+](=O)[O-])SC

STK579807
Synonyms: 5-benzyl-N-[(2E)-6-ethyl-4-methylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1ccccc1)/[nH]2

STK579808
Synonyms: 7-[(3-methoxybenzyl)oxy]-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1cccc(c1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK579809
Synonyms: (3R,3'S,5'S)-5-fluoro-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(F)cc1)CC(C)C

STK579814
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-methyl-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)C)/O

STK579815
Synonyms: 8-methoxy-2,3-bis(4-methylphenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)c1ccc(cc1)C)c1ccc(cc1)C

STK579816
Synonyms: 3-(3-methylphenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1cccc(c1)C

STK579819
Synonyms: 3-[5-(4-bromo-2,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(C)cc(cc1C)Br

STK579820
Synonyms: 1-(furan-2-ylmethyl)-6-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2Cc1ccco1)S

STK579821
Synonyms: N-benzyl-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NCc1ccccc1

STK579822
Synonyms: 3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccco2)/C1=O)NCCc1c[nH]cn1

STK579823
Synonyms: 1-{[7-(2,6-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1c(Cl)cccc1Cl)c(=O)n(c(=O)n2C)C

STK579824
Synonyms: N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]benzamide
Smiles: COc1cccc(c1)c1c(=O)c2ccccc2n(c1NC(=O)c1ccccc1)C

STK579826
Synonyms: N-[3-(4-bromophenyl)-6-chloro-4-oxo-4H-chromen-2-yl]benzamide
Smiles: Brc1ccc(cc1)c1c(NC(=O)c2ccccc2)oc2c(c1=O)cc(cc2)Cl

STK579827
Synonyms: (2E,5Z)-2-[(2-bromophenyl)imino]-5-[(1-methyl-1H-indol-3-yl)methylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2Br)/S/C/1=C\c1cn(c2c1cccc2)C

STK579828
Synonyms: 4-({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK579829
Synonyms: 9-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cc(OC)c(c(c2)OC)O)ncn3)C1)O

STK579830
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)O

STK579831
Synonyms: 2-[4-(2-methoxyphenyl)-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]-1-(1H-pyrazol-1-yl)ethanone
Smiles: COc1ccccc1C1(CCOC(C1)C(C)C)CC(=O)n1cccn1

STK579832
Synonyms: 3'-(2,4-dimethylphenyl)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccc(cc1C)C)O)[N+](=O)[O-]

STK579836
Synonyms: (E)-{2-(3-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)CC[NH+]1CCOCC1)/[O-]

STK579837
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl

STK579838
Synonyms: 2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1