 | | 8PC | | Name: | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL | | Formula: | C18 H13 Cl2 N O2 | | SMILES: | Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3 | | InChi: | InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2 | | Definition date: | 2007-04-25 | | Last modified: | 2011-06-04 | | Identifier: | 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol |
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 | | 8PS | | Name: | 5-OCTYL-2-PHENOXYPHENOL | | Formula: | C20 H26 O2 | | SMILES: | O(c1ccccc1)c2ccc(cc2O)CCCCCCCC | | InChi: | InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | | Definition date: | 2005-10-05 | | Last modified: | 2011-06-04 | | Identifier: | 5-octyl-2-phenoxyphenol |
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 | | GRB | | Name: | 8-bromoguanosine 5'-(dihydrogen phosphate) | | Formula: | C10 H13 Br N5 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2c(Br)nc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H13BrN5O8P/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19)/t2-,4-,5-,8-/m1/s1 | | Definition date: | 2011-03-15 | | Last modified: | 2011-06-04 | | Identifier: | 8-bromoguanosine 5'-(dihydrogen phosphate) |
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 | | GRE | | Name: | 2,6-DIHYDROXYBENZOIC ACID | | Formula: | C7 H6 O4 | | SMILES: | O=C(O)c1c(O)cccc1O | | InChi: | InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) | | Definition date: | 2006-08-07 | | Last modified: | 2011-06-04 | | Identifier: | 2,6-dihydroxybenzoic acid |
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 | | GRL | | Name: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE | | Formula: | C29 H40 N2 O7 S | | SMILES: | O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4 | | InChi: | InChI=1S/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1 | | Definition date: | 2006-06-19 | | Last modified: | 2011-06-04 | | Identifier: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate |
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 | | GRM | | Name: | N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | | Formula: | C26 H28 N2 O3 | | SMILES: | O=C(NCc1ccc2OCOc2c1)C5CCN(C(c4c3ccccc3ccc4)C)CC5 | | InChi: | InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1 | | Definition date: | 2010-04-20 | | Last modified: | 2011-06-04 | | Identifier: | N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide |
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 | | GS | | Name: | GUANOSINE-5'-THIO-MONOPHOSPHATE | | Formula: | C10 H14 N5 O6 P S | | SMILES: | O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-thiophosphonoguanosine |
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 | | GS2 | | Name: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide | | Formula: | C27 H27 F N8 O3 | | SMILES: | O=C(n2c1cc(c(OC)cc1cc2)Nc3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(C)C | | InChi: | InChI=1S/C27H27FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-13H,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34) | | Definition date: | 2008-09-24 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide |
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 | | GS3 | | Name: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | | Formula: | C27 H31 F N8 O2 | | SMILES: | Fc1cccc(c1C(=O)N)Nc3nc(nc2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC | | InChi: | InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34) | | Definition date: | 2008-09-24 | | Last modified: | 2011-06-04 | | Identifier: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide |
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 | | GS6 | | Name: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | | Formula: | C19 H22 Cl N3 O5 S2 | | SMILES: | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C | | InChi: | InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1 | | Definition date: | 2006-08-18 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide |
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 | | GS7 | | Name: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | | Formula: | C22 H21 F N6 O4 S | | SMILES: | O=S(=O)(C)Cc1ccc(c(OC)c1)Nc2nc4c(c(n2)Nc3cccc(F)c3C(=O)N)ccn4 | | InChi: | InChI=1S/C22H21FN6O4S/c1-33-17-10-12(11-34(2,31)32)6-7-15(17)27-22-28-20-13(8-9-25-20)21(29-22)26-16-5-3-4-14(23)18(16)19(24)30/h3-10H,11H2,1-2H3,(H2,24,30)(H3,25,26,27,28,29) | | Definition date: | 2008-09-24 | | Last modified: | 2011-06-04 | | Identifier: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide |
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 | | GSB | | Name: | S-BENZYL-GLUTATHIONE | | Formula: | C17 H23 N3 O6 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCc1ccccc1 | | InChi: | InChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20-13(16(24)19-8-15(22)23)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-benzyl-L-cysteinylglycine |
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 | | GSJ | | Name: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)- | | Formula: | C23 H31 Cl N4 O6 S2 | | SMILES: | O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C | | InChi: | InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1 | | Definition date: | 2006-08-31 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[(3S)-3-{[(6-chloronaphthalen-2-yl)sulfonyl]amino}-2-oxopyrrolidin-1-yl]-N-(1-methylethyl)-N-{2-[(methylsulfonyl)amino]ethyl}propanamide |
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 | | GSK | | Name: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | | Formula: | C21 H24 Cl N3 O5 S | | SMILES: | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C | | InChi: | InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1 | | Definition date: | 2006-04-03 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
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 | | GSO | | Name: | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | | Formula: | C18 H25 N3 O7 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCC(O)c1ccccc1 | | InChi: | InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14+/m0/s1 | | Definition date: | 2005-10-20 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-[(2S)-2-hydroxy-2-phenylethyl]-L-cysteinylglycine |
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 | | GSP | | Name: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE | | Formula: | C10 H16 N5 O13 P3 S | | SMILES: | S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine |
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 | | GSQ | | Name: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE | | Formula: | C19 H23 Cl N4 O5 S | | SMILES: | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C | | InChi: | InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1 | | Definition date: | 2006-08-17 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-indole-2-sulfonamide |
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 | | GSU | | Name: | O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE | | Formula: | C15 H21 N7 O9 S | | SMILES: | O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1 | | Definition date: | 2005-06-06 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(L-alpha-glutamylsulfamoyl)adenosine |
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 | | GSV | | Name: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide | | Formula: | C23 H22 Cl F N2 O5 S3 | | SMILES: | Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4 | | InChi: | InChI=1S/C23H22ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,14,19,26H,10-13H2,1H3/t19-/m0/s1 | | Definition date: | 2007-11-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide |
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 | | GSX | | Name: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE | | Formula: | C19 H22 Cl N3 O5 S3 | | SMILES: | Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4 | | InChi: | InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1 | | Definition date: | 2006-11-02 | | Last modified: | 2011-06-04 | | Identifier: | 5'-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide |
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 | | GTB | | Name: | S-(P-NITROBENZYL)GLUTATHIONE | | Formula: | C17 H22 N4 O8 S | | SMILES: | O=[N+]([O-])c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(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-(4-nitrobenzyl)-L-cysteinylglycine |
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 | | GTC | | Name: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid | | Formula: | C9 H13 N3 O2 S | | SMILES: | S=C1NC(=NN1)C2CCCCC2C(=O)O | | InChi: | InChI=1S/C9H13N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h5-6H,1-4H2,(H,13,14)(H2,10,11,12,15)/t5-,6+/m0/s1 | | Definition date: | 2009-03-30 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid |
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 | | GTQ | | Name: | 2,5-dihydroxybenzoic acid | | Formula: | C7 H6 O4 | | SMILES: | O=C(O)c1cc(O)ccc1O | | InChi: | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) | | Definition date: | 2009-09-17 | | Last modified: | 2011-06-04 | | Identifier: | 2,5-dihydroxybenzoic acid |
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 | | GUA | | Name: | GLUTARIC ACID | | Formula: | C5 H8 O4 | | SMILES: | O=C(O)CCCC(=O)O | | InChi: | InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | pentanedioic acid |
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 | | GUB | | Name: | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine | | Formula: | C18 H21 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCCc4ccccc4 | | InChi: | InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14+,15+,18+/m0/s1 | | Definition date: | 2009-04-10 | | Last modified: | 2011-06-04 | | Identifier: | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine |
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