 | | RQR | | Name: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid | | Formula: | C13 H11 N3 O3 S | | SMILES: | O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc12 | | InChi: | InChI=1S/C13H11N3O3S/c17-11(16-8-2-1-7(5-8)13(18)19)10-9-3-4-20-12(9)15-6-14-10/h1-4,6-8H,5H2,(H,16,17)(H,18,19)/t7-,8+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid |
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 | | QYC | | Name: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C21 H21 N3 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QYJ | | Name: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C21 H21 N3 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RR3 | | Name: | 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide | | Formula: | C15 H14 N6 O2 S | | SMILES: | N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c12 | | InChi: | InChI=1S/C15H14N6O2S/c1-21-14-13(8-19-21)17-10-18-15(14)20-24(22,23)9-12-4-2-11(3-5-12)6-7-16/h2-5,8,10H,6,9H2,1H3,(H,17,18,20) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide |
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 | | QYO | | Name: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | | Formula: | C15 H15 F N4 O | | SMILES: | OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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 | | QYU | | Name: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol | | Formula: | C15 H15 F N4 O | | SMILES: | OC1CCC(C1)Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C15H15FN4O/c16-8-1-4-11-12(5-8)20-15-13(11)14(17-7-18-15)19-9-2-3-10(21)6-9/h1,4-5,7,9-10,21H,2-3,6H2,(H2,17,18,19,20)/t9-,10+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol |
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 | | RRF | | Name: | (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C18 H15 N3 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1 | | InChi: | InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QZ6 | | Name: | (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione | | Formula: | C14 H13 F N4 O2 S | | SMILES: | O=S1(=O)CCC1CNc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C14H13FN4O2S/c15-8-1-2-10-11(5-8)19-14-12(10)13(17-7-18-14)16-6-9-3-4-22(9,20)21/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione |
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 | | QZF | | Name: | (8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C18 H17 F N4 O2 | | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12 | | InChi: | InChI=1S/C18H17FN4O2/c19-18(16(24)25)9-23(8-17(18)6-3-7-17)15-13-11-4-1-2-5-12(11)22-14(13)20-10-21-15/h1-2,4-5,10H,3,6-9H2,(H,24,25)(H,20,21,22)/t18-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | RS0 | | Name: | (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C18 H15 N3 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1 | | InChi: | InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QZO | | Name: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | | Formula: | C17 H15 F N4 O2 | | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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 | | RS9 | | Name: | (1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H17 N3 O5 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1 | | InChi: | InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QZX | | Name: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | | Formula: | C17 H15 F N4 O2 | | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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 | | RSR | | Name: | (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C18 H17 F2 N5 O2 | | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | R0A | | Name: | [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid | | Formula: | C19 H19 F N4 O3 | | SMILES: | Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CC(=O)O | | InChi: | InChI=1S/C19H19FN4O3/c20-11-2-3-13-14(6-11)23-17-16(13)18(22-10-21-17)24-8-12(7-15(25)26)27-19(9-24)4-1-5-19/h2-3,6,10,12H,1,4-5,7-9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid |
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 | | R0H | | Name: | methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate | | Formula: | C17 H17 F N4 O3 | | SMILES: | O=C(OC)C1(CCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12)CO | | InChi: | InChI=1S/C17H17FN4O3/c1-25-16(24)17(8-23)4-5-22(7-17)15-13-11-3-2-10(18)6-12(11)21-14(13)19-9-20-15/h2-3,6,9,23H,4-5,7-8H2,1H3,(H,19,20,21)/t17-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate |
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 | | R0L | | Name: | (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid | | Formula: | C15 H13 F N4 O3 | | SMILES: | O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid |
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 | | RT5 | | Name: | (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C18 H17 F2 N5 O2 | | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | R0R | | Name: | (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C17 H14 F2 N4 O3 | | SMILES: | O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | R0W | | Name: | (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C17 H14 F2 N4 O3 | | SMILES: | O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | RTI | | Name: | (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H16 N2 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1 | | InChi: | InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RTU | | Name: | (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H16 N2 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1 | | InChi: | InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RV3 | | Name: | 3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid | | Formula: | C18 H14 N4 O3 | | SMILES: | O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1ccc2[NH]cnc2c1 | | InChi: | InChI=1S/C18H14N4O3/c23-17(10-5-6-14-15(7-10)21-9-20-14)19-8-12-11-3-1-2-4-13(11)22-16(12)18(24)25/h1-7,9,22H,8H2,(H,19,23)(H,20,21)(H,24,25) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid |
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 | | RVF | | Name: | 3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid | | Formula: | C18 H14 N4 O4 | | SMILES: | O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1 | | InChi: | InChI=1S/C18H14N4O4/c23-16(9-5-6-13-14(7-9)22-18(26)21-13)19-8-11-10-3-1-2-4-12(10)20-15(11)17(24)25/h1-7,20H,8H2,(H,19,23)(H,24,25)(H2,21,22,26) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid |
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 | | YQS | | Name: | [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H17 N2 O13 P3 S | | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O | | InChi: | InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate |
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