 | | 9I0 | | Name: | (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid | | Formula: | C19 H25 N O3 | | SMILES: | OC(=O)[CH](CC(=O)N1C[CH]2CCCC[CH]2C1)Cc3ccccc3 | | InChi: | InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1 | | Synonyms: | Mitiglinide | | Definition date: | 2022-01-14 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | (2~{S})-4-[(3~{a}~{R},7~{a}~{S})-1,3,3~{a},4,5,6,7,7~{a}-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid |
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 | | 9Y4 | | Name: | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide | | Formula: | C16 H18 N2 O | | SMILES: | Cc1ccc(cc1)CNC(=O)CNc1ccccc1 | | InChi: | InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19) | | Definition date: | 2021-11-01 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide |
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 | | 9YR | | Name: | 2-(methoxycarbonyl)thiophene-3-sulfonic acid | | Formula: | C6 H6 O5 S2 | | SMILES: | OS(=O)(=O)c1ccsc1C(=O)OC | | InChi: | InChI=1S/C6H6O5S2/c1-11-6(7)5-4(2-3-12-5)13(8,9)10/h2-3H,1H3,(H,8,9,10) | | Definition date: | 2021-11-01 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | 2-(methoxycarbonyl)thiophene-3-sulfonic acid |
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 | | 9Z5 | | Name: | (4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine | | Formula: | C25 H21 N3 O2 | | SMILES: | COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1 | | InChi: | InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3 | | Definition date: | 2021-11-01 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | (4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine |
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 | | ZGY | | Name: | 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide | | Formula: | C19 H15 Br F N7 O3 S | | SMILES: | NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br | | InChi: | InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28) | | Definition date: | 2021-04-27 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide |
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 | | WQO | | Name: | (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C17 H15 N O5 | | SMILES: | Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O | | InChi: | InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1 | | Definition date: | 2022-10-13 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | XMV | | Name: | 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile | | Formula: | C27 H28 F3 N5 O2 | | SMILES: | C1N(C(CCCC)CN(C1=O)c2cc(OC(F)(F)F)ccc2)Cc3cncn3Cc4ccc(cc4)C#N | | InChi: | InChI=1S/C27H28F3N5O2/c1-2-3-5-23-17-35(22-6-4-7-25(12-22)37-27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4,6-12,14,19,23H,2-3,5,15-18H2,1H3/t23-/m0/s1 | | Definition date: | 2020-12-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile |
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 | | XN4 | | Name: | (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one | | Formula: | C26 H28 Cl F3 N4 O2 | | SMILES: | c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(cc3)Cl)cc(c4)OC(F)(F)F | | InChi: | InChI=1S/C26H28ClF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1 | | Definition date: | 2020-12-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one |
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 | | LNU | | Name: | ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate | | Formula: | C22 H24 N2 O5 | | SMILES: | CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4 | | InChi: | InChI=1S/C22H24N2O5/c1-4-28-22(25)19-10-15-6-5-7-16-12-23-29-21(16)20(15)24(19)13-14-8-17(26-2)11-18(9-14)27-3/h8-12H,4-7,13H2,1-3H3 | | Definition date: | 2022-07-07 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate |
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 | | XO1 | | Name: | 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile | | Formula: | C27 H27 F4 N5 O2 | | SMILES: | c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(C#N)c(c3)F)cc(c4)OC(F)(F)F | | InChi: | InChI=1S/C27H27F4N5O2/c1-2-3-5-22-16-36(21-6-4-7-24(11-21)38-27(29,30)31)26(37)17-34(22)15-23-13-33-18-35(23)14-19-8-9-20(12-32)25(28)10-19/h4,6-11,13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1 | | Definition date: | 2020-12-22 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile |
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 | | XO4 | | Name: | (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one | | Formula: | C26 H28 F4 N4 O2 | | SMILES: | C2C(=O)N(c1cc(ccc1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(F)cc4 | | InChi: | InChI=1S/C26H28F4N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1 | | Definition date: | 2020-12-22 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one |
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 | | XO7 | | Name: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one | | Formula: | C25 H26 Br F3 N4 O2 | | SMILES: | c1ccc(cc1OC(F)(F)F)N2CC(CCC)N(CC2=O)Cc4cncn4Cc3ccc(Br)cc3 | | InChi: | InChI=1S/C25H26BrF3N4O2/c1-2-4-21-15-33(20-5-3-6-23(11-20)35-25(27,28)29)24(34)16-31(21)14-22-12-30-17-32(22)13-18-7-9-19(26)10-8-18/h3,5-12,17,21H,2,4,13-16H2,1H3/t21-/m0/s1 | | Definition date: | 2020-12-22 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one |
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 | | XOA | | Name: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one | | Formula: | C25 H28 Br Cl N4 O | | SMILES: | c4cc(N1C(CN(C(CCCC)C1)Cc2n(cnc2)Cc3ccc(Br)cc3)=O)cc(c4)Cl | | InChi: | InChI=1S/C25H28BrClN4O/c1-2-3-6-23-16-31(22-7-4-5-21(27)12-22)25(32)17-29(23)15-24-13-28-18-30(24)14-19-8-10-20(26)11-9-19/h4-5,7-13,18,23H,2-3,6,14-17H2,1H3/t23-/m0/s1 | | Definition date: | 2020-12-22 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one |
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 | | LO9 | | Name: | 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole | | Formula: | C18 H16 N2 O3 | | SMILES: | COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1 | | InChi: | InChI=1S/C18H16N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h3-8,10-11H,9H2,1-2H3 | | Definition date: | 2022-07-07 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole |
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 | | U8L | | Name: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde | | Formula: | C30 H23 N O5 | | SMILES: | Oc1ccc(NC2C#CCCC#CC3C(=CC(C)=C2C3C=O)OC)c2c1C(=O)c1ccccc1C2=O | | InChi: | InChI=1S/C30H23NO5/c1-17-15-25(36-2)18-9-5-3-4-6-12-22(26(17)21(18)16-32)31-23-13-14-24(33)28-27(23)29(34)19-10-7-8-11-20(19)30(28)35/h7-8,10-11,13-16,18,21-22,31,33H,3-4H2,1-2H3/t18-,21-,22-/m0/s1 | | Definition date: | 2022-08-10 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde |
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 | | C0C | | Name: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide | | Formula: | C26 H30 Cl N3 O3 | | SMILES: | O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1 | | Definition date: | 2021-11-18 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide |
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 | | WW0 | | Name: | 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide | | Formula: | C12 H16 N4 O2 | | SMILES: | CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12 | | InChi: | InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide |
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 | | WWC | | Name: | 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide | | Formula: | C10 H12 N6 O | | SMILES: | CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12 | | InChi: | InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide |
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 | | WWH | | Name: | 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide | | Formula: | C18 H28 N6 O | | SMILES: | CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21 | | InChi: | InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide |
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 | | WWN | | Name: | 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide | | Formula: | C17 H26 N6 O | | SMILES: | CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12 | | InChi: | InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide |
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 | | WWT | | Name: | 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide | | Formula: | C10 H12 N4 O2 | | SMILES: | CCCNC(=O)c1ccnc2[NH]c(O)nc12 | | InChi: | InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide |
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 | | WX6 | | Name: | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone | | Formula: | C13 H16 N4 O2 | | SMILES: | O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1 | | InChi: | InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone |
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 | | WXB | | Name: | 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione | | Formula: | C14 H16 N4 O3 | | SMILES: | O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1 | | InChi: | InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
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 | | WXF | | Name: | (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone | | Formula: | C12 H14 N4 O3 | | SMILES: | CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21 | | InChi: | InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone |
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 | | WXK | | Name: | N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide | | Formula: | C11 H12 N4 O4 S | | SMILES: | CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1 | | InChi: | InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17) | | Definition date: | 2022-10-21 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide |
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