 | | 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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 | | 4GY | | Name: | 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide | | Formula: | C10 H16 N4 O2 | | SMILES: | Nc1nonc1C(=O)NCC2CCCCC2 | | InChi: | InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15) | | Definition date: | 2015-03-18 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide |
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 | | 4H1 | | Name: | 6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide | | Formula: | C14 H22 N4 O | | SMILES: | c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O | | InChi: | InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1 | | Definition date: | 2015-03-18 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide |
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 | | 4H3 | | Name: | 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide | | Formula: | C12 H17 N3 O3 | | SMILES: | c1c(cnc(c1)NC2CC(C(C2)O)CO)C(N)=O | | InChi: | InChI=1S/C12H17N3O3/c13-12(18)7-1-2-11(14-5-7)15-9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H2,13,18)(H,14,15)/t8-,9-,10+/m1/s1 | | Definition date: | 2015-03-18 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide |
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 | | 4H4 | | Name: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide | | Formula: | C12 H13 N5 O4 S | | SMILES: | c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O | | InChi: | InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1 | | Definition date: | 2015-03-18 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide |
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 | | 4H6 | | Name: | 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide | | Formula: | C17 H20 N4 O2 | | SMILES: | c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3 | | InChi: | InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20) | | Definition date: | 2015-03-19 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide |
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 | | 4H7 | | Name: | 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide | | Formula: | C18 H23 N5 O | | SMILES: | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C | | InChi: | InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21) | | Definition date: | 2015-03-19 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide |
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 | | 4H8 | | Name: | 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide | | Formula: | C10 H17 N5 O | | SMILES: | CC(CNc1ncc(C(N)=O)c(n1)N)(C)C | | InChi: | InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15) | | Definition date: | 2015-03-19 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide |
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 | | 4H9 | | Name: | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone | | Formula: | C10 H10 N4 O2 | | SMILES: | c2cc(C(n1ncnc1N)=O)ccc2OC | | InChi: | InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13) | | Definition date: | 2015-03-19 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone |
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 | | 4HQ | | Name: | (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone | | Formula: | C8 H13 N5 O2 | | SMILES: | N2(C(c1c(non1)N)=O)CCN(CC2)C | | InChi: | InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11) | | Definition date: | 2015-03-19 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone |
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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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 | | 5D4 | | Name: | N-(6-ACETAMIDOHEXYL)ACETAMIDE | | Formula: | C10 H20 N2 O2 | | SMILES: | CC(=O)NCCCCCCNC(C)=O | | InChi: | InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14) | | Definition date: | 2015-07-03 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | N-(6-acetamidohexyl)ethanamide |
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 | | 5KX | | Name: | 2-chloro-1H-imidazole | | Formula: | C3 H3 Cl N2 | | SMILES: | Clc1nccn1 | | InChi: | InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6) | | Definition date: | 2015-10-15 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 2-chloro-1H-imidazole |
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 | | 67H | | Name: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide | | Formula: | C18 H19 F N4 O2 S | | SMILES: | C(C2=CC(=O)N1C(=C(C)SC1=N2)C(=O)NC)N(CC)c3ccc(cc3)F | | InChi: | InChI=1S/C18H19FN4O2S/c1-4-22(14-7-5-12(19)6-8-14)10-13-9-15(24)23-16(17(25)20-3)11(2)26-18(23)21-13/h5-9H,4,10H2,1-3H3,(H,20,25) | | Definition date: | 2016-02-11 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
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 | | 67J | | Name: | N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide | | Formula: | C18 H15 F4 N3 O2 S | | SMILES: | C(=O)(C1=C(C)SC=2N1C(=O)C=C(N=2)Cc3cccc(c3F)C(F)(F)F)NCC | | InChi: | InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27) | | Definition date: | 2016-02-11 | | Last modified: | 2016-03-11 | | Release date: | 2016-03-16 | | Identifier: | N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
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