 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | GAQ | | Name: | 5-HYDROXYPENTANAL | | Formula: | C5 H10 O2 | | SMILES: | O=CCCCCO | | InChi: | InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2 | | Definition date: | 2005-08-02 | | Last modified: | 2011-06-04 | | Identifier: | 5-hydroxypentanal |
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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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 | | 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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 | | 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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 | | GB2 | | Name: | (2R,3R,4S)-2-({[(1S)-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: | 2005-12-05 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S)-2-({[(1S)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol |
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 | | GB6 | | Name: | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one | | Formula: | C13 H18 N2 O4 | | SMILES: | O=C2NC(CNC(c1ccccc1)CO)C(O)C2O | | InChi: | InChI=1S/C13H18N2O4/c16-7-10(8-4-2-1-3-5-8)14-6-9-11(17)12(18)13(19)15-9/h1-5,9-12,14,16-18H,6-7H2,(H,15,19)/t9-,10+,11-,12-/m1/s1 | | Definition date: | 2008-06-11 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one |
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 | | GB7 | | Name: | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one | | Formula: | C14 H20 N2 O4 | | SMILES: | O=C2N(C)C(CNC(c1ccccc1)CO)C(O)C2O | | InChi: | InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1 | | Definition date: | 2008-06-11 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one |
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 | | GBI | | Name: | S-(3-IODOBENZYL)GLUTATHIONE | | Formula: | C17 H22 I N3 O6 S | | SMILES: | Ic1cc(ccc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C17H22IN3O6S/c18-11-3-1-2-10(6-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)5-4-12(19)17(26)27/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-(3-iodobenzyl)-L-cysteinylglycine |
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 | | GBP | | Name: | S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE | | Formula: | C17 H23 Br N4 O8 S | | SMILES: | Brc1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1 | | InChi: | InChI=1S/C17H23BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine |
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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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 | | GCK | | Name: | PHOSPHORIC ACID 9-(2-GUANIDINOETHOXY-3-(2-DEOXY-BETA-D-ERYTHROPENTOFURANOSYL))-3H-PYRIMIDO-[5,4-B][1,4]-BENZOOXAZIN-2-ONE]-5'-ESTER | | Formula: | C18 H24 N6 O9 P | | SMILES: | O=C3N=C2C(Oc1cccc(OCCNC(=[NH2+])N)c1N2)=CN3C4OC(C(O)C4)COP(=O)(O)O | | InChi: | InChI=1S/C18H23N6O9P/c19-17(20)21-4-5-30-10-2-1-3-11-15(10)22-16-12(32-11)7-24(18(26)23-16)14-6-9(25)13(33-14)8-31-34(27,28)29/h1-3,7,9,13-14,25H,4-6,8H2,(H4,19,20,21)(H,22,23,26)(H2,27,28,29)/p+1/t9-,13+,14+/m0/s1 | | Definition date: | 2001-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one |
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 | | GCP | | Name: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Formula: | C11 H18 N5 O13 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine |
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 | | DJT | | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide | | Formula: | C25 H25 Cl F N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5 | | InChi: | InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | | Definition date: | 2010-10-15 | | Last modified: | 2011-06-04 | | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide |
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 | | DK2 | | Name: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | | Formula: | C18 H13 N O7 | | SMILES: | O=C(O)C(N2C(=O)c1cc(ccc1C2=O)C(=O)O)Cc3ccc(O)cc3 | | InChi: | InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1 | | Definition date: | 2007-05-10 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
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 | | DK5 | | Name: | 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one | | Formula: | C17 H18 F N3 O5 | | SMILES: | OC[CH]1O[CH](C[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 | | InChi: | InChI=1S/C17H18FN3O5/c18-11-8-14(26-12(9-22)15(11)23)21-7-6-13(20-17(21)25)19-16(24)10-4-2-1-3-5-10/h1-7,11-12,14-15,22-23H,8-9H2,(H,19,20,24,25)/t11-,12-,14-,15+/m1/s1 | | Definition date: | 2010-01-13 | | Last modified: | 2011-06-04 | | Identifier: | N-[1-[(2R,4R,5R,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
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 | | DKD | | Name: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid | | Formula: | C23 H22 O3 | | SMILES: | O=C(O)C(Oc1ccc(cc1)CCc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1 | | Definition date: | 2009-06-03 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-phenyl-2-[4-(2-phenylethyl)phenoxy]propanoic acid |
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 | | DKK | | Name: | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | | Formula: | C19 H20 F3 N7 O2 | | SMILES: | FC(F)(c1ncccc1)CNc2ccc(C#N)c(c2F)CC(=O)NCCONC(=[N@H])N | | InChi: | InChI=1S/C19H20F3N7O2/c20-17-13(9-16(30)27-7-8-31-29-18(24)25)12(10-23)4-5-14(17)28-11-19(21,22)15-3-1-2-6-26-15/h1-6,28H,7-9,11H2,(H,27,30)(H4,24,25,29) | | Definition date: | 2008-01-25 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide |
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 | | DKT | | Name: | 4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID | | Formula: | C38 H57 N7 O10 | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(=O)C(NC(=O)OCc1ccccc1)CC2CCCCC2)CCCNC(=[N@H])N)CCC(=O)O)CC3CCCCC3 | | InChi: | InChI=1S/C38H57N7O10/c39-37(40)41-20-10-17-27(33(49)42-28(18-19-31(46)47)34(50)44-30(36(52)53)22-25-13-6-2-7-14-25)43-35(51)32(48)29(21-24-11-4-1-5-12-24)45-38(54)55-23-26-15-8-3-9-16-26/h3,8-9,15-16,24-25,27-30H,1-2,4-7,10-14,17-23H2,(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,47)(H,52,53)(H4,39,40,41)/t27-,28-,29+,30-/m0/s1 | | Definition date: | 2002-11-15 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-[(3R)-3-{[(benzyloxy)carbonyl]amino}-4-cyclohexyl-2-oxobutanoyl]-L-arginyl-L-alpha-glutamyl-3-cyclohexyl-L-alanine |
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