 | | 2ZV | | Name: | 4-methyl-3-nitropyridin-2-amine | | Formula: | C6 H7 N3 O2 | | SMILES: | O=[N+]([O-])c1c(ccnc1N)C | | InChi: | InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8) | | Definition date: | 2013-09-20 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 4-methyl-3-nitropyridin-2-amine |
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 | | C43 | | Name: | 2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C12 H20 N3 O9 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(OCCOC)C2O | | InChi: | InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | | Definition date: | 1999-05-12 | | Last modified: | 2013-02-19 | | Identifier: | 2'-O-(2-methoxyethyl)cytidine 5'-(dihydrogen phosphate) |
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 | | Y16 | | Name: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide | | Formula: | C14 H26 N2 O6 | | SMILES: | O=C(NCC(=O)N)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C | | InChi: | InChI=1S/C14H26N2O6/c1-14(2,3)6-5-8(17)10(19)11(20)12(22-4)13(21)16-7-9(15)18/h5-6,8,10-12,17,19-20H,7H2,1-4H3,(H2,15,18)(H,16,21)/b6-5+/t8-,10+,11-,12-/m1/s1 | | Definition date: | 2010-11-15 | | Last modified: | 2012-06-17 | | Identifier: | (2R,3R,4S,5R,6E)-N-(2-amino-2-oxoethyl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name) |
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 | | HIG | | Name: | 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine | | Formula: | C26 H25 N7 | | SMILES: | n1nnnc1c2c(cccc2)c3ccc6c(c3)CCC6n4c5nc(cc(c5nc4CC)C)C | | InChi: | InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)/t22-/m0/s1 | | Definition date: | 2011-03-28 | | Last modified: | 2012-03-09 | | Identifier: | 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine |
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 | | ZF0 | | Name: | 1-(3-methylphenyl)methanamine | | Formula: | C8 H11 N | | SMILES: | NCc1cccc(c1)C | | InChi: | InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3 | | Definition date: | 2010-11-15 | | Last modified: | 2012-01-13 | | Identifier: | 1-(3-methylphenyl)methanamine |
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 | | O8A | | Name: | N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide | | Formula: | C17 H14 F3 N3 O2 S | | SMILES: | FC(F)(F)Oc4cc3nc(n(c1sc(cc1)C(=O)NC2CC2)c3cc4)C | | InChi: | InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24) | | Definition date: | 2010-08-10 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide |
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 | | SSL | | Name: | (3-{[2-(DIHYDROXYAMINO)-4-(2LAMBDA~5~-TRIAZA-1,2-DIENYL)PHENYL]AMINO}-9-HYDROXY-8,8,10,10-TETRAMETHYL-1,5-DIOXA-9-AZASPIRO[5.5]UNDEC-3-YL)METHYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C19 H30 N6 O12 P2 | | SMILES: | [O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NC2(COC3(OC2)CC(N(O)C(C)(C)C3)(C)C)COP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C19H30N6O12P2/c1-16(2)8-19(9-17(3,4)25(16)28)34-10-18(11-35-19,12-36-39(32,33)37-38(29,30)31)21-14-6-5-13(22-23-20)7-15(14)24(26)27/h5-7,21,28H,8-12H2,1-4H3,(H,32,33)(H2,29,30,31) | | Definition date: | 2003-04-22 | | Last modified: | 2011-06-04 | | Identifier: | {3-[(4-azido-2-nitrophenyl)amino]-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl}methyl trihydrogen diphosphate |
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 | | GBR | | Name: | 5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine | | Formula: | C11 H17 Br N5 O12 P3 | | SMILES: | O=P(O)(O)C(Br)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C11H17BrN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10+/m0/s1 | | Definition date: | 2009-09-14 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine |
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 | | L64 | | Name: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea | | Formula: | C32 H32 N10 O3 | | SMILES: | O=C(c1cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O)Nc4ccncc4)cc5)N6CCOCC6)CC7 | | InChi: | InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44) | | Definition date: | 2009-07-17 | | Last modified: | 2011-06-04 | | Identifier: | 1-(4-{4-(morpholin-4-yl)-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea |
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 | | ML9 | | Name: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one | | Formula: | C22 H27 N5 O4 | | SMILES: | O=C2C(=Cc1c(nc(nc1C)N)N2C3CCC(OCCO)CC3)c4ccc(OC)nc4 | | InChi: | InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16- | | Definition date: | 2010-04-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one |
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 | | NDP | | Name: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H30 N7 O17 P3 | | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | ACF | | Name: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID | | Formula: | C18 H24 Cl N3 O4 | | SMILES: | O=C(O)c3cc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(Cl)cc3 | | InChi: | InChI=1S/C18H24ClN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,9-10,20H2,(H,24,25)/t12-,13+,15+/m1/s1 | | Definition date: | 2006-03-09 | | Last modified: | 2011-06-04 | | Identifier: | 3-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid |
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