 | | AK5 | | Name: | 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide | | Formula: | C21 H20 Br N5 O3 S | | SMILES: | Brc3c(SCCC(=O)Nc2cc(C(=O)Nc1ccccc1)ccc2OC)ncnc3N | | InChi: | InChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25) | | Definition date: | 2008-06-24 | | Last modified: | 2011-06-04 | | Identifier: | 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide |
|
 | | AK6 | | Name: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | | Formula: | C25 H24 N4 O3 S | | SMILES: | O=C(Nc1ccccc1)c2cc(c(OC)cc2)NC(=O)CCSCc3cc4c(nc3)ncc4 | | InChi: | InChI=1S/C25H24N4O3S/c1-32-22-8-7-19(25(31)28-20-5-3-2-4-6-20)14-21(22)29-23(30)10-12-33-16-17-13-18-9-11-26-24(18)27-15-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,26,27)(H,28,31)(H,29,30) | | Definition date: | 2008-06-24 | | Last modified: | 2011-06-04 | | Identifier: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide |
|
 | | AK7 | | Name: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | | Formula: | C17 H15 Br F3 N7 O S | | SMILES: | O=C(Nc1ncc(s1)CCNc2ncnc(N)c2Br)Nc3cccc(c3)C(F)(F)F | | InChi: | InChI=1S/C17H15BrF3N7OS/c18-12-13(22)25-8-26-14(12)23-5-4-11-7-24-16(30-11)28-15(29)27-10-3-1-2-9(6-10)17(19,20)21/h1-3,6-8H,4-5H2,(H3,22,23,25,26)(H2,24,27,28,29) | | Definition date: | 2008-06-24 | | Last modified: | 2011-06-04 | | Identifier: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea |
|
 | | AKI | | Name: | 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea | | Formula: | C33 H27 N5 O2 | | SMILES: | O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(c(c34)c5ccccc5)c6ccccc6 | | InChi: | InChI=1S/C33H27N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-19,22H,20-21H2,(H,34,35,36)(H2,37,38,39) | | Definition date: | 2010-03-18 | | Last modified: | 2011-06-04 | | Identifier: | 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea |
|
 | | AKP | | Name: | N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE | | Formula: | C41 H60 N7 O13 P | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3 | | InChi: | InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1 | | Definition date: | 2004-08-30 | | Last modified: | 2011-06-04 | | Identifier: | N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide |
|
 | | ALG | | Name: | 4-carbamimidamidobutanoic acid | | Formula: | C5 H11 N3 O2 | | SMILES: | O=C(O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-carbamimidamidobutanoic acid |
|
 | | ALR | | Name: | ALRESTATIN | | Formula: | C14 H9 N O4 | | SMILES: | O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O | | InChi: | InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid |
|
 | | ALU | | Name: | METHYL HYDROGEN (S)-ACETYLPHOSPHONATE | | Formula: | C3 H7 O4 P | | SMILES: | O=C(C)P(=O)(O)OC | | InChi: | InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6) | | Definition date: | 2007-12-14 | | Last modified: | 2011-06-04 | | Identifier: | methyl hydrogen (S)-acetylphosphonate |
|
 | | AM0 | | Name: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine | | Formula: | C25 H23 N7 O3 | | SMILES: | O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C | | InChi: | InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31) | | Definition date: | 2008-01-21 | | Last modified: | 2011-06-04 | | Identifier: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine |
|
 | | AM5 | | Name: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide | | Formula: | C31 H30 F3 N7 O2 | | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5 | | InChi: | InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39) | | Definition date: | 2008-01-21 | | Last modified: | 2011-06-04 | | Identifier: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
|
 | | AM6 | | Name: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide | | Formula: | C32 H32 F3 N7 O2 | | SMILES: | FC(F)(F)c1cccc(c1C)C(=O)Nc2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5 | | InChi: | InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40) | | Definition date: | 2008-01-21 | | Last modified: | 2011-06-04 | | Identifier: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide |
|
 | | AMC | | Name: | AMINOMETHYLCYCLOHEXANE | | Formula: | C7 H16 N | | SMILES: | [NH3+]CC1CCCCC1 | | InChi: | InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexylmethanaminium |
|
 | | AMH | | Name: | TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)C1CCC(CN)CC1 | | InChi: | InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7- | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | trans-4-(aminomethyl)cyclohexanecarboxylic acid |
|
 | | AMI | | Name: | ALLOSAMIZOLINE | | Formula: | C9 H16 N2 O4 | | SMILES: | N1=C(OC2C1C(O)C(O)C2CO)N(C)C | | InChi: | InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol |
|
 | | AMO | | Name: | ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C14 H19 N6 O10 P | | SMILES: | O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1 | | Definition date: | 2000-11-16 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | AMS | | Name: | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | | Formula: | C6 H7 Hg N2 O2 S | | SMILES: | O=S(=O)(c1cc([Hg])c(N)cc1)N | | InChi: | InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2-amino-5-sulfamoylphenyl)mercury |
|
 | | AMT | | Name: | 2-AMINOTHIAZOLE | | Formula: | C3 H4 N2 S | | SMILES: | n1ccsc1N | | InChi: | InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-thiazol-2-amine |
|
 | | AMW | | Name: | ADENOSINE MONOTUNGSTATE | | Formula: | C10 H14 N5 O7 W | | SMILES: | O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (adenosinato-kappaO~5'~)(dihydroxy)oxotungsten |
|
 | | AN1 | | Name: | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | | Formula: | C18 H16 O2 | | SMILES: | O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3 | | InChi: | InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20) | | Definition date: | 2002-06-20 | | Last modified: | 2011-06-04 | | Identifier: | 3-(10-methylanthracen-9-yl)propanoic acid |
|
 | | AN2 | | Name: | AMP PHOSPHORAMIDATE | | Formula: | C10 H16 N6 O9 P2 | | SMILES: | O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N | | InChi: | InChI=1S/C10H16N6O9P2/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2004-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-{[(S)-amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | AN3 | | Name: | ANTHRACENE | | Formula: | C14 H10 | | SMILES: | c3ccc2cc1ccccc1cc2c3 | | InChi: | InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H | | Definition date: | 2006-07-13 | | Last modified: | 2011-06-04 | | Identifier: | anthracene |
|
 | | AN6 | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine | | Formula: | C16 H25 N7 O5 | | SMILES: | O=C(O)C(N)CCN(CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C16H25N7O5/c1-2-22(4-3-8(17)16(26)27)5-9-11(24)12(25)15(28-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,2-5,17H2,1H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1 | | Definition date: | 2009-07-28 | | Last modified: | 2011-06-04 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine |
|
 | | ANF | | Name: | ANTHRONE | | Formula: | C14 H10 O | | SMILES: | Oc2c3c(cc1c2cccc1)cccc3 | | InChi: | InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H | | Definition date: | 2005-02-04 | | Last modified: | 2011-06-04 | | Identifier: | anthracen-9-ol |
|
 | | ANG | | Name: | 8-AMINOGUANINE | | Formula: | C5 H6 N6 O | | SMILES: | O=C1c2nc(nc2N=C(N1)N)N | | InChi: | InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12) | | Definition date: | 2002-06-13 | | Last modified: | 2011-06-04 | | Identifier: | 2,8-diamino-1,9-dihydro-6H-purin-6-one |
|
 | | ANI | | Name: | 4-(trifluoromethyl)aniline | | Formula: | C7 H6 F3 N | | SMILES: | FC(F)(F)c1ccc(N)cc1 | | InChi: | InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-(trifluoromethyl)aniline |
|
