 | | G95 | | Name: | N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide | | Formula: | C20 H18 N4 O S | | SMILES: | O=C(c3sc(c1c2c(ncc1)ncc2)cc3)NC(c4ccccc4)CN | | InChi: | InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)24-20(25)18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)/t16-/m1/s1 | | Definition date: | 2008-08-25 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide |
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 | | G96 | | Name: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol | | Formula: | C24 H27 N7 O3 | | SMILES: | n1onc(N)c1c2nc4c(n2CC)cc(OCC(N)Cc3ccccc3)nc4C#CC(O)(C)C | | InChi: | InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1 | | Definition date: | 2008-08-25 | | Last modified: | 2011-06-04 | | Identifier: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol |
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 | | G9D | | Name: | 3-(morpholin-4-ylmethyl)-1,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one | | Formula: | C15 H16 N4 O2 | | SMILES: | O=C1NN=C(CN2CCOCC2)c3c[nH]c4cccc1c34 | | InChi: | InChI=1S/C15H16N4O2/c20-15-10-2-1-3-12-14(10)11(8-16-12)13(17-18-15)9-19-4-6-21-7-5-19/h1-3,8,16H,4-7,9H2,(H,18,20) | | Definition date: | 2009-11-03 | | Last modified: | 2011-06-04 |
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 | | G9G | | Name: | 2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5H)-one | | Formula: | C17 H18 N4 O | | SMILES: | CN1CCN(CC1)c2ccc3NC(=O)c4ccccc4c3n2 | | InChi: | InChI=1S/C17H18N4O/c1-20-8-10-21(11-9-20)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22) | | Definition date: | 2009-11-03 | | Last modified: | 2011-06-04 | | Identifier: | 2-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one |
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 | | G9L | | Name: | 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one | | Formula: | C20 H24 F N3 O2 | | SMILES: | Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1 | | InChi: | InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26) | | Definition date: | 2009-11-03 | | Last modified: | 2011-06-04 | | Identifier: | 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one |
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 | | G9M | | Name: | N-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide | | Formula: | C23 H27 N5 O2 | | SMILES: | O=C(CN1CCC(CC1)N2CCCC2)Nc3ccc4NC(=O)c5ccccc5c4n3 | | InChi: | InChI=1S/C23H27N5O2/c29-21(15-27-13-9-16(10-14-27)28-11-3-4-12-28)25-20-8-7-19-22(26-20)17-5-1-2-6-18(17)23(30)24-19/h1-2,5-8,16H,3-4,9-15H2,(H,24,30)(H,25,26,29) | | Definition date: | 2009-11-03 | | Last modified: | 2011-06-04 | | Identifier: | N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanamide |
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 | | GA | | Name: | GALLIUM (III) ION | | Formula: | Ga | | SMILES: | [Ga+3] | | InChi: | InChI=1S/Ga/q+3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | gallium |
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 | | GA2 | | Name: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE | | Formula: | C9 H13 N5 O4 | | SMILES: | O=C2NC(=Nc1c2ncn1COC(CO)CO)N | | InChi: | InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-9-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}-1,9-dihydro-6H-purin-6-one |
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 | | GA4 | | Name: | GIBBERELLIN A4 | | Formula: | C19 H24 O5 | | SMILES: | O=C(O)C4C21CC(C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5 | | InChi: | InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1 | | Definition date: | 2001-11-26 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid |
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 | | GAE | | Name: | D-galactaric acid | | Formula: | C6 H10 O8 | | SMILES: | O=C(O)C(O)C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- | | Definition date: | 2009-06-09 | | Last modified: | 2011-06-04 | | Identifier: | D-galactaric acid |
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 | | 1BM | | Name: | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL | | Formula: | C24 H29 N7 O | | SMILES: | Oc1cc(c(cc1)C)Nc2nc(nc(NCCN(CC)CC)c2)n3c4ccccc4nc3 | | InChi: | InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29) | | Definition date: | 2006-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 3-{[2-(1H-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol |
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 | | GAG | | Name: | 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID | | Formula: | C4 H3 N O4 | | SMILES: | O=C(O)c1conc1O | | InChi: | InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8) | | Definition date: | 2004-04-23 | | Last modified: | 2011-06-04 | | Identifier: | 3-hydroxyisoxazole-4-carboxylic acid |
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 | | 1BP | | Name: | 1-BROMOPROPANE-2-OL | | Formula: | C3 H7 Br O | | SMILES: | BrCC(O)C | | InChi: | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1 | | Definition date: | 2003-08-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-1-bromopropan-2-ol |
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 | | GAI | | Name: | GUANIDINE | | Formula: | C H5 N3 | | SMILES: | [N@H]=C(N)N | | InChi: | InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | guanidine |
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 | | GAM | | Name: | ALPHA-METHYL-L-GLUTAMIC ACID | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)CCC(N)(C(=O)O)C | | InChi: | InChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-methyl-L-glutamic acid |
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 | | GAN | | Name: | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER | | Formula: | C32 H51 N5 O5 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(N1CCC(=CC(C1)Cc2ccccc2)C(NC(=O)C(N)C)C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | methyl N-[(2S)-2-{(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl}propanoyl]-L-valyl-L-valinate |
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 | | GAO | | Name: | GUANINE ARABINOSE-5'-PHOSPHATE | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6+,9-/m1/s1 | | Definition date: | 2000-12-18 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-9-(5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
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 | | GAP | | Name: | GLYCYL-ADENOSINE-5'-PHOSPHATE | | Formula: | C12 H17 N6 O8 P | | SMILES: | [O-]P(=O)(OC(=O)C[NH3+])OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-{[(ammonioacetyl)oxy]phosphinato}adenosine |
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 | | 1BY | | Name: | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | Formula: | C7 H12 N2 O6 P2 | | SMILES: | O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O | | InChi: | InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15) | | Definition date: | 2006-08-14 | | Last modified: | 2011-06-04 | | Identifier: | [2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid) |
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 | | GAR | | Name: | GLYCINAMIDE RIBONUCLEOTIDE | | Formula: | C7 H13 N2 O8 P | | SMILES: | O=C(NC1OC(C(O)C1O)COP([O-])([O-])=O)CN | | InChi: | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2/t3-,5-,6-,7-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-glycyl-5-O-phosphonato-beta-D-ribofuranosylamine |
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 | | GAS | | Name: | N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID | | Formula: | C23 H20 N4 O2 | | SMILES: | N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3 | | InChi: | InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (E)-N-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}glycine |
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 | | 1C2 | | Name: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER | | Formula: | C16 H23 N3 O6 S | | SMILES: | O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2 | | InChi: | InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1 | | Definition date: | 2005-12-02 | | Last modified: | 2011-06-04 | | Identifier: | [(3S)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid |
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 | | GAX | | Name: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | | Formula: | C19 H20 N6 O3 S2 | | SMILES: | O=C(Nc1cccc(c1)S(=O)(=O)N3CCN(c2ncccc2)CC3)Nc4nccs4 | | InChi: | InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26) | | Definition date: | 2007-10-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea |
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 | | 1C5 | | Name: | [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE | | Formula: | C26 H39 N4 O10 P | | SMILES: | O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)N)CCC2CCCCC2)CCC(=O)O | | InChi: | InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21+,22+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-O-phosphono-L-tyrosyl-N-[(1R)-1-carbamoyl-3-cyclohexylpropyl]-L-alpha-glutamine |
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 | | GB1 | | Name: | (2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL | | Formula: | C13 H20 N2 O3 | | SMILES: | OC1C(NCC1O)CNC(c2ccccc2)CO | | InChi: | InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1 | | Definition date: | 2005-12-01 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol |
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