 | | 5EZ | | Name: | 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one | | Formula: | C14 H15 Cl N2 O2 | | SMILES: | O=C3NC=Cc2cc(OCC1CCNC1)c(Cl)cc23 | | InChi: | InChI=1S/C14H15ClN2O2/c15-12-6-11-10(2-4-17-14(11)18)5-13(12)19-8-9-1-3-16-7-9/h2,4-6,9,16H,1,3,7-8H2,(H,17,18)/t9-/m1/s1 | | Definition date: | 2013-02-04 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-22 | | Identifier: | 7-chloro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one |
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 | | 5FX | | Name: | 5-deoxy-5-fluoro-D-xylulose | | Formula: | C5 H9 F O4 | | SMILES: | O=C(CO)C(O)C(O)CF | | InChi: | InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1 | | Definition date: | 2012-08-14 | | Last modified: | 2014-09-05 | | Release date: | 2012-11-23 | | Identifier: | 5-deoxy-5-fluoro-D-xylulose |
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 | | 5MI | | Name: | 5-METHYL INDOLE | | Formula: | C9 H9 N | | SMILES: | c1c(ccc2c1ccn2)C | | InChi: | InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3 | | Definition date: | 2012-07-23 | | Last modified: | 2014-09-05 | | Release date: | 2013-02-01 | | Identifier: | 5-methyl-1H-indole |
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 | | 5PS | | Name: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide | | Formula: | C29 H22 F2 N4 O2 | | SMILES: | Fc1cccc(c1)c2ccc(c(F)c2)C(=O)NC(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5 | | InChi: | InChI=1S/C29H22F2N4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m1/s1 | | Definition date: | 2013-07-16 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-22 | | Identifier: | 3,3'-difluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide |
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 | | EM7 | | Name: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE | | Formula: | C13 H12 N8 O | | SMILES: | O=C(NC)c3nc(c1cccc(c1)c2nnnn2)cnc3N | | InChi: | InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21) | | Definition date: | 2012-03-22 | | Last modified: | 2014-09-05 | | Identifier: | 3-amino-N-methyl-6-[3-(1H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide |
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 | | EUR | | Name: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide | | Formula: | C19 H12 Cl3 F N4 O3 | | SMILES: | Clc3nc(nc3C(=O)NCc2ccc(Cl)c(Oc1cc(C#N)cc(Cl)c1)c2F)CO | | InChi: | InChI=1S/C19H12Cl3FN4O3/c20-11-3-9(6-24)4-12(5-11)30-17-13(21)2-1-10(15(17)23)7-25-19(29)16-18(22)27-14(8-28)26-16/h1-5,28H,7-8H2,(H,25,29)(H,26,27) | | Definition date: | 2012-10-14 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-04 | | Identifier: | 4-chloro-N-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide |
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 | | 8M5 | | Name: | 1-methyl-N-phenyl-indole-3-carboxamide | | Formula: | C16 H14 N2 O | | SMILES: | O=C(c2c1ccccc1n(c2)C)Nc3ccccc3 | | InChi: | InChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19) | | Definition date: | 2013-05-17 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-18 | | Identifier: | 1-methyl-N-phenyl-1H-indole-3-carboxamide |
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 | | 8Y6 | | Name: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid | | Formula: | C25 H14 F2 N4 O5 | | SMILES: | O=C1c2cc(c(F)cc2N=CN1)Cn4c(c(c5c3occc3c(F)cc45)C6=CC=CNC6=O)C(=O)O | | InChi: | InChI=1S/C25H14F2N4O5/c26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32/h1-8,10H,9H2,(H,28,32)(H,34,35)(H,29,30,33) | | Definition date: | 2012-10-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-09 | | Identifier: | 4-fluoro-6-[(7-fluoro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid |
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 | | F33 | | Name: | 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE | | Formula: | C17 H13 N3 O3 | | SMILES: | O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3 | | InChi: | InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21) | | Definition date: | 2013-06-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinazolin-4(3H)-one |
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 | | F35 | | Name: | 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione | | Formula: | C18 H14 N4 O3 | | SMILES: | O=C1c4ccccc4N=C(N1)c2ccc(cc2)CN3C(=O)CNC3=O | | InChi: | InChI=1S/C18H14N4O3/c23-15-9-19-18(25)22(15)10-11-5-7-12(8-6-11)16-20-14-4-2-1-3-13(14)17(24)21-16/h1-8H,9-10H2,(H,19,25)(H,20,21,24) | | Definition date: | 2013-06-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 3-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzyl]imidazolidine-2,4-dione |
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 | | F36 | | Name: | 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one | | Formula: | C16 H12 N2 O2 | | SMILES: | O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C | | InChi: | InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20) | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 2-(4-acetylphenyl)quinazolin-4(3H)-one |
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 | | F37 | | Name: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione | | Formula: | C18 H14 N4 O3 | | SMILES: | O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC(=O)N3)C | | InChi: | InChI=1S/C18H14N4O3/c1-18(16(24)21-17(25)22-18)11-8-6-10(7-9-11)14-19-13-5-3-2-4-12(13)15(23)20-14/h2-9H,1H3,(H,19,20,23)(H2,21,22,24,25)/t18-/m0/s1 | | Definition date: | 2013-06-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | (5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione |
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 | | F38 | | Name: | [4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide | | Formula: | C15 H13 N3 O3 S | | SMILES: | O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 | | InChi: | InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19) | | Definition date: | 2013-06-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 1-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methanesulfonamide |
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 | | F40 | | Name: | 2-phenyl-3H-quinazolin-4-one | | Formula: | C14 H10 N2 O | | SMILES: | O=C2c3ccccc3N=C(c1ccccc1)N2 | | InChi: | InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17) | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 2-phenylquinazolin-4(3H)-one |
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 | | F47 | | Name: | 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol | | Formula: | C17 H12 F N5 O | | SMILES: | Fc4ccc(c1nn2c(nnc2nc1)Cc3ccc(O)cc3)cc4 | | InChi: | InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2 | | Definition date: | 2012-03-30 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-21 | | Identifier: | 4-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}phenol |
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 | | F9J | | Name: | 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE | | Formula: | C18 H20 F2 N8 O2 | | SMILES: | Fc1cnc(nc1)C(Oc3nc(nc(N2CCOCC2)c3F)Nc4cc(nn4)C)C | | InChi: | InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1 | | Definition date: | 2013-02-11 | | Last modified: | 2014-09-05 | | Release date: | 2013-04-17 | | Identifier: | 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-2-amine |
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 | | AQ2 | | Name: | N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide | | Formula: | C21 H25 N3 O4 S2 | | SMILES: | O=S4(=O)CCC(NS(=O)(=O)c3ccc(c2ccnc1nc(cc12)C(C)C)cc3)CC4 | | InChi: | InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23) | | Definition date: | 2012-06-03 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-01 | | Identifier: | N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide |
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 | | AZ7 | | Name: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID | | Formula: | C17 H13 Cl3 N2 O2 | | SMILES: | Clc1ccc(cc1)C(CC(=O)O)Cc3nc2cc(Cl)cc(Cl)c2n3 | | InChi: | InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)/t10-/m0/s1 | | Definition date: | 2011-09-08 | | Last modified: | 2014-09-05 | | Identifier: | (3S)-3-(4-chlorophenyl)-4-(5,7-dichloro-1H-benzimidazol-2-yl)butanoic acid |
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 | | FM7 | | Name: | [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid | | Formula: | C23 H20 Cl2 F3 N2 O5 P | | SMILES: | Clc1ccc(cc1Cl)C(CCN(O)C(=O)c3ccccc3Nc2cc(ccc2)C(F)(F)F)P(=O)(O)O | | InChi: | InChI=1S/C23H20Cl2F3N2O5P/c24-18-9-8-14(12-19(18)25)21(36(33,34)35)10-11-30(32)22(31)17-6-1-2-7-20(17)29-16-5-3-4-15(13-16)23(26,27)28/h1-9,12-13,21,29,32H,10-11H2,(H2,33,34,35)/t21-/m0/s1 | | Definition date: | 2012-12-30 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-09 | | Identifier: | {(1S)-1-(3,4-dichlorophenyl)-3-[hydroxy(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)amino]propyl}phosphonic acid |
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 | | 47N | | Name: | NEOAGAROBIOSE | | Formula: | C12 H20 O10 | | SMILES: | O(C2OC1C(O)C(OC1)C2O)C3C(O)C(OC(O)C3O)CO | | InChi: | InChI=1S/C12H20O10/c13-1-3-5(14)10(7(16)11(18)20-3)22-12-8(17)9-6(15)4(21-12)2-19-9/h3-18H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+,11-,12+/m1/s1 | | Definition date: | 2012-02-21 | | Last modified: | 2014-09-05 | | Identifier: | 3-O-(3,6-anhydro-alpha-L-galactopyranosyl)-beta-D-galactopyranose |
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 | | 48P | | Name: | (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid | | Formula: | C8 H12 O6 | | SMILES: | O=C(O)C1(O)C=C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C8H12O6/c9-3-4-1-8(14,7(12)13)2-5(10)6(4)11/h1,5-6,9-11,14H,2-3H2,(H,12,13)/t5-,6-,8+/m1/s1 | | Definition date: | 2013-12-17 | | Last modified: | 2014-09-05 | | Release date: | 2014-04-16 | | Identifier: | (1R,4R,5R)-1,4,5-trihydroxy-3-(hydroxymethyl)cyclohex-2-ene-1-carboxylic acid |
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 | | 48T | | Name: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine | | Formula: | C24 H27 N3 O7 S | | SMILES: | O=C(c2ccc(c1ccccc1)cc2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/t18-,19-/m0/s1 | | Definition date: | 2012-02-29 | | Last modified: | 2014-09-05 | | Release date: | 2013-02-01 | | Identifier: | L-gamma-glutamyl-S-[2-(biphenyl-4-yl)-2-oxoethyl]-L-cysteinylglycine |
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 | | 4AU | | Name: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone | | Formula: | C12 H9 N3 O | | SMILES: | O=C(c2nc1ccccc1n2)c3cccn3 | | InChi: | InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15) | | Definition date: | 2012-05-15 | | Last modified: | 2014-09-05 | | Release date: | 2013-02-01 | | Identifier: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone |
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 | | 4D2 | | Name: | 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C21 H24 N2 O5 | | SMILES: | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3cccnc3 | | InChi: | InChI=1S/C21H24N2O5/c1-13(2)8-14(10-23-20(24)16-4-3-7-22-11-16)9-15-5-6-17-19(28-12-27-17)18(15)21(25)26/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1 | | Definition date: | 2013-12-22 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-08 | | Identifier: | 5-[(2S)-4-methyl-2-{[(pyridin-3-ylcarbonyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid |
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 | | 4HB | | Name: | 4,4'-DIHYDROXYBIPHENYL | | Formula: | C12 H10 O2 | | SMILES: | Oc2ccc(c1ccc(O)cc1)cc2 | | InChi: | InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H | | Definition date: | 2011-07-23 | | Last modified: | 2014-09-05 | | Identifier: | biphenyl-4,4'-diol |
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