 | | QP9 | | Name: | (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H22 N4 O5 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1 | | InChi: | InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QPL | | Name: | (1R,2R)-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+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RI3 | | Name: | (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid | | Formula: | C18 H16 F2 N4 O2 | | SMILES: | O=C(O)C1(F)CN(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C18H16F2N4O2/c19-10-3-4-11-13(5-10)23-15-14(11)16(22-8-21-15)24-6-12(9-1-2-9)18(20,7-24)17(25)26/h3-5,8-9,12H,1-2,6-7H2,(H,25,26)(H,21,22,23)/t12-,18-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid |
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 | | QPX | | Name: | (1S,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: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RI7 | | Name: | methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate | | Formula: | C17 H17 F N4 O3 | | SMILES: | O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H17FN4O3/c1-24-14(23)7-11-8-22(4-5-25-11)17-15-12-3-2-10(18)6-13(12)21-16(15)19-9-20-17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,19,20,21)/t11-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate |
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 | | QQ9 | | Name: | (3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid | | Formula: | C14 H15 N3 O3 | | SMILES: | O=C(c1ccnc2[NH]ccc21)N1CCCC(C1)C(=O)O | | InChi: | InChI=1S/C14H15N3O3/c18-13(17-7-1-2-9(8-17)14(19)20)11-4-6-16-12-10(11)3-5-15-12/h3-6,9H,1-2,7-8H2,(H,15,16)(H,19,20)/t9-/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid |
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 | | RIK | | Name: | 3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid | | Formula: | C17 H17 F N4 O3 | | SMILES: | O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H17FN4O3/c18-10-1-3-12-13(7-10)21-16-15(12)17(20-9-19-16)22-5-6-25-11(8-22)2-4-14(23)24/h1,3,7,9,11H,2,4-6,8H2,(H,23,24)(H,19,20,21)/t11-/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid |
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 | | QQI | | Name: | (1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H20 N4 O5 | | SMILES: | O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1 | | InChi: | InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RIW | | Name: | 1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one | | Formula: | C14 H12 F N5 O | | SMILES: | Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O | | InChi: | InChI=1S/C14H12FN5O/c15-8-3-4-9-10(6-8)18-13-12(9)14(17-7-16-13)19-20-5-1-2-11(20)21/h3-4,6-7H,1-2,5H2,(H2,16,17,18,19) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one |
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 | | RIZ | | Name: | (1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid | | Formula: | C17 H17 F N4 O2 | | SMILES: | O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid |
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 | | QQR | | Name: | (1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H20 N4 O5 | | SMILES: | O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1 | | InChi: | InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RJ9 | | Name: | (1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid | | Formula: | C17 H17 F N4 O2 | | SMILES: | O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12 | | InChi: | InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid |
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 | | QR0 | | Name: | (1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H18 N4 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(Nn2ccnc2)cc1 | | InChi: | InChI=1S/C20H18N4O4/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)22-19(26)12-4-6-13(7-5-12)23-24-9-8-21-11-24/h1-9,11,16,18,23,25H,10H2,(H,22,26)(H,27,28)/t16-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QR6 | | Name: | (1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C21 H20 Cl N3 O5 | | SMILES: | O=C(NC1CC1)Nc1ccc(c(Cl)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C21H20ClN3O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RJL | | Name: | 3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide | | Formula: | C15 H16 N4 O4 | | SMILES: | Oc1cccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1 | | InChi: | InChI=1S/C15H16N4O4/c1-23-11-7-10(8-16-9-11)14(21)18-5-6-19-15(22)13-12(20)3-2-4-17-13/h2-4,7-9,20H,5-6H2,1H3,(H,18,21)(H,19,22) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide |
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 | | QRC | | Name: | (1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H19 N3 O5 | | SMILES: | CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RJS | | Name: | (8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide | | Formula: | C15 H11 Br F N3 O3 S | | SMILES: | Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12 | | InChi: | InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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 | | QRI | | Name: | (1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H19 N3 O5 | | SMILES: | CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RK0 | | Name: | N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide | | Formula: | C14 H14 N4 O3 S2 | | SMILES: | Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N)c(C)cc1 | | InChi: | InChI=1S/C14H14N4O3S2/c1-8-4-5-12(6-11(8)7-15)18-23(20,21)13-9(2)16-14(22-13)17-10(3)19/h4-6,18H,1-3H3,(H,16,17,19) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide |
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 | | QRU | | Name: | (1R,2R)-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+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RK9 | | Name: | N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide | | Formula: | C14 H14 N4 O3 S2 | | SMILES: | Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1 | | InChi: | InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide |
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 | | 1RJ | | Name: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide | | Formula: | C18 H18 F N5 O | | SMILES: | Fc1cccc(c1)C(CNC)Nc1ncnc2c1cccc2C(N)=O | | InChi: | InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)/t15-/m1/s1 | | Definition date: | 2021-06-24 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide |
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 | | 1SK | | Name: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide | | Formula: | C21 H19 Cl F3 N5 O | | SMILES: | FC(F)(F)c1cc(ccc1Cl)C(Nc1ncnc2c1cccc2C(N)=O)CN1CCC1 | | InChi: | InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1 | | Definition date: | 2021-06-24 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide |
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 | | 1T1 | | Name: | stearoyl adenylate | | Formula: | C28 H48 N5 O8 P | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 | | Synonyms: | 5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine | | Definition date: | 2021-06-25 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine |
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 | | 1TF | | Name: | palmitoyl adenylate | | Formula: | C26 H44 N5 O8 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 | | Synonyms: | 5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine | | Definition date: | 2021-06-25 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 5'-O-[(R)-(hexadecanoyloxy)(hydroxy)phosphoryl]adenosine |
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