| EFW | Name: | 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide | Formula: | C11 H15 N3 O2 | SMILES: | O=C(c2cnc(NC1CC(O)CC1)cc2)N | InChi: | InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1 | Definition date: | 2012-04-10 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide |
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| EFY | Name: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide | Formula: | C25 H29 N3 O3 | SMILES: | O=C(c1cccc(c1)C(C)(C)C)NCC4(NC(=O)c2cccc3nocc23)CCCC4 | InChi: | InChI=1S/C25H29N3O3/c1-24(2,3)18-9-6-8-17(14-18)22(29)26-16-25(12-4-5-13-25)27-23(30)19-10-7-11-21-20(19)15-31-28-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,29)(H,27,30) | Definition date: | 2012-04-10 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide |
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| 51O | Name: | Au(caffein-2-ylidene)2 | Formula: | C18 H24 Au N8 O4 | SMILES: | O=C1N(c2c(C(N1C)=O)n(C)c([n+]2C)[Au+]c3n(c4c([n+]3C)N(C)C(=O)N(C)C4=O)C)C | InChi: | InChI=1S/2C9H12N4O2.Au/c2*1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3 | Definition date: | 2015-07-10 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | bis(1,3,7,9-tetramethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)gold(1+) |
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| 954 | Name: | 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile | Formula: | C18 H18 F N7 O S2 | SMILES: | Fc1c(SC)nc(nc1C)N3CC2C(=O)N(C)C(=[N@H])NC2(C3)c4sc(cc4)C#N | InChi: | InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1 | Definition date: | 2016-01-12 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile |
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| F60 | Name: | 1H-indol-6-ol | Formula: | C8 H7 N O | SMILES: | Oc1ccc2c(c1)ncc2 | InChi: | InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H | Definition date: | 2015-10-15 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 1H-indol-6-ol |
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| ICB | Name: | 1H-indole-2-carboxylic acid | Formula: | C9 H7 N O2 | SMILES: | O=C(O)c2cc1ccccc1n2 | InChi: | InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12) | Definition date: | 2014-05-21 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 1H-indole-2-carboxylic acid |
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| 4EF | Name: | 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide | Formula: | C17 H19 Cl N6 O3 S | SMILES: | c43c(Nc2c(N1CCOCC1)ccc(c2)S(=O)(=O)NC)ncnc3ncc4Cl | InChi: | InChI=1S/C17H19ClN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23) | Definition date: | 2015-03-06 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide |
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| 4F9 | Name: | 4-(1H-imidazol-5-yl)pyridine | Formula: | C8 H7 N3 | SMILES: | c1c(ccnc1)c2cncn2 | InChi: | InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-(1H-imidazol-5-yl)pyridine |
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| 4FD | Name: | 6-(benzylamino)pyridine-3-carboxamide | Formula: | C13 H13 N3 O | SMILES: | NC(c1cnc(cc1)NCc2ccccc2)=O | InChi: | InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-(benzylamino)pyridine-3-carboxamide |
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| 4FG | Name: | 6-aminopyridine-3-carboxamide | Formula: | C6 H7 N3 O | SMILES: | c1c(cnc(c1)N)C(=O)N | InChi: | InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-aminopyridine-3-carboxamide |
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| 4FL | Name: | 4-(1H-imidazol-2-yl)pyridine | Formula: | C8 H7 N3 | SMILES: | c1c(ccnc1)c2nccn2 | InChi: | InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-(1H-imidazol-2-yl)pyridine |
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| 4FM | Name: | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide | Formula: | C10 H9 Cl N4 O2 | SMILES: | c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O | InChi: | InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide |
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| 4FN | Name: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide | Formula: | C26 H31 N3 O3 | SMILES: | N(C1(CCCCC1)CNC(c2cccc(c2)C(C)(C)C)=O)C(c4cccc3c4con3)=O | InChi: | InChI=1S/C26H31N3O3/c1-25(2,3)19-10-7-9-18(15-19)23(30)27-17-26(13-5-4-6-14-26)28-24(31)20-11-8-12-22-21(20)16-32-29-22/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,31) | Definition date: | 2015-03-16 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide |
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| 4FV | Name: | 4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide | Formula: | C8 H12 N4 O3 | SMILES: | c1(c(non1)N)C(=O)NC2CCC(C2)O | InChi: | InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1 | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide |
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| 4FX | Name: | 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide | Formula: | C14 H15 N3 O2 | SMILES: | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC | InChi: | InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide |
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| 4G0 | Name: | 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide | Formula: | C15 H18 N4 O | SMILES: | c1cc(cc(c1)N(C)C)CNc2ccc(cn2)C(=O)N | InChi: | InChI=1S/C15H18N4O/c1-19(2)13-5-3-4-11(8-13)9-17-14-7-6-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide |
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| 4G1 | Name: | N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide | Formula: | C22 H23 N3 O3 | SMILES: | c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O | InChi: | InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide |
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| 4G3 | Name: | 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide | Formula: | C13 H13 N3 O2 | SMILES: | c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N | InChi: | InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide |
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| 4G4 | Name: | 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide | Formula: | C15 H18 N4 O | SMILES: | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C | InChi: | InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide |
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| 4GM | Name: | 6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide | Formula: | C13 H13 N3 O2 | SMILES: | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O | InChi: | InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide |
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| 4GN | Name: | 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide | Formula: | C12 H17 N3 O | SMILES: | c1c(cnc(c1)NCC2CCCC2)C(N)=O | InChi: | InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide |
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| 4GO | Name: | 6-(cyclopentylamino)pyridine-3-carboxamide | Formula: | C11 H15 N3 O | SMILES: | c1c(cnc(c1)NC2CCCC2)C(=O)N | InChi: | InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14) | Definition date: | 2015-03-17 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 6-(cyclopentylamino)pyridine-3-carboxamide |
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| 4GS | Name: | 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide | Formula: | C8 H13 N5 O2 | SMILES: | c1(c(non1)N)C(=O)NC2CCNCC2 | InChi: | InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14) | Definition date: | 2015-03-18 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide |
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| 4GT | Name: | 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide | Formula: | C10 H15 N5 O | SMILES: | c1c(C(N)=O)c(nc(n1)NC2CCCC2)N | InChi: | InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15) | Definition date: | 2015-03-18 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide |
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| 4GX | Name: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone | Formula: | C13 H16 N6 O2 | SMILES: | n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N | InChi: | InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17) | Definition date: | 2015-03-18 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone |
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