| BLS | Name: | BLASTICIDIN S | Formula: | C17 H26 N8 O5 | SMILES: | O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C | InChi: | InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1 | Definition date: | 2001-11-09 | Last modified: | 2011-06-04 | Identifier: | 4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]pyrimidin-2(1H)-one |
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| BMC | Name: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid | Formula: | C12 H10 N2 O4 | SMILES: | O=C(O)c1cc(nn1C)c2ccc3OCOc3c2 | InChi: | InChI=1S/C12H10N2O4/c1-14-9(12(15)16)5-8(13-14)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,15,16) | Definition date: | 2010-09-29 | Last modified: | 2011-06-04 | Identifier: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid |
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| RYU | Name: | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE | Formula: | C22 H23 N3 O5 S | SMILES: | O=S(=O)(c4cc3C(=C2Nc1ccccc1C2(O)C)C(=O)Nc3cc4)N5CCC(O)CC5 | InChi: | InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1 | Definition date: | 2005-01-11 | Last modified: | 2011-06-04 | Identifier: | (2Z,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one |
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| BML | Name: | 4-BROMOPHENOL | Formula: | C6 H5 Br O | SMILES: | Brc1ccc(O)cc1 | InChi: | InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H | Definition date: | 2004-04-29 | Last modified: | 2011-06-04 | Identifier: | 4-bromophenol |
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| BMP | Name: | 6-HYDROXYURIDINE-5'-PHOSPHATE | Formula: | C9 H13 N2 O10 P | SMILES: | O=C1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 | Definition date: | 2000-01-14 | Last modified: | 2011-06-04 | Identifier: | 6-hydroxyuridine 5'-(dihydrogen phosphate) |
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| BMW | Name: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol | Formula: | C23 H22 N6 O2 | SMILES: | n1c4c(c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc5c6 | InChi: | InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25) | Definition date: | 2010-10-29 | Last modified: | 2011-06-04 | Identifier: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol |
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| BMZ | Name: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | Formula: | C14 H13 N4 O | SMILES: | Oc3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1 | Definition date: | 2001-01-25 | Last modified: | 2011-06-04 | Identifier: | amino[2-(2-hydroxyphenyl)-1H-benzimidazol-5-yl]methaniminium |
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| R | Name: | 2'-DEOXY-N6-(R)STYRENE OXIDE ADENOSINE MONOPHOSPHATE | Formula: | C18 H22 N5 O7 P | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O | InChi: | InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate) |
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| BNA | Name: | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | Formula: | C24 H20 O2 | SMILES: | O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34 | InChi: | InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoic acid |
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| BNF | Name: | N-BENZYLFORMAMIDE | Formula: | C8 H9 N O | SMILES: | O=CNCc1ccccc1 | InChi: | InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) | Definition date: | 2004-07-25 | Last modified: | 2011-06-04 | Identifier: | N-benzylformamide |
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| BNL | Name: | BIPHENYL | Formula: | C12 H10 | SMILES: | c1cc(ccc1)c2ccccc2 | InChi: | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H | Definition date: | 2003-09-15 | Last modified: | 2011-06-04 | Identifier: | biphenyl |
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| BNP | Name: | (3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE | Formula: | C32 H35 N O3 | SMILES: | O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5 | InChi: | InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1 | Definition date: | 2003-07-11 | Last modified: | 2011-06-04 | Identifier: | (3R,4R)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(naphthalen-2-ylmethoxy)piperidine |
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| BNS | Name: | benzenesulfonic acid | Formula: | C6 H6 O3 S | SMILES: | O=S(=O)(O)c1ccccc1 | InChi: | InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | benzenesulfonic acid |
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| BNZ | Name: | BENZENE | Formula: | C6 H6 | SMILES: | c1ccccc1 | InChi: | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | benzene |
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| BOE | Name: | 2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE | Formula: | C19 H25 N2 O10 P | SMILES: | O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2ccccc2)COP(=O)(O)O | InChi: | InChI=1S/C19H25N2O10P/c1-12-9-21(19(24)20-17(12)23)18-16(15(22)14(31-18)11-30-32(25,26)27)29-8-7-28-10-13-5-3-2-4-6-13/h2-6,9,14-16,18,22H,7-8,10-11H2,1H3,(H,20,23,24)(H2,25,26,27)/t14-,15-,16-,18-/m1/s1 | Definition date: | 2004-12-21 | Last modified: | 2011-06-04 | Identifier: | 2'-O-[2-(benzyloxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate) |
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| BOL | Name: | 2-iodo-N-phenylbenzamide | Formula: | C13 H10 I N O | SMILES: | Ic1ccccc1C(=O)Nc2ccccc2 | InChi: | InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16) | Definition date: | 2010-02-23 | Last modified: | 2011-06-04 | Identifier: | 2-iodo-N-phenyl-benzamide |
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| BOS | Name: | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | Formula: | C13 H12 N2 O3 S2 | SMILES: | O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N | InChi: | InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18) | Definition date: | 2006-06-23 | Last modified: | 2011-06-04 | Identifier: | N-(4-sulfamoylphenyl)-2-sulfanylbenzamide |
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| BP3 | Name: | 2'-CHLORO-BIPHENYL-2,3-DIOL | Formula: | C12 H9 Cl O2 | SMILES: | Clc2ccccc2c1c(O)c(O)ccc1 | InChi: | InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H | Definition date: | 2002-05-01 | Last modified: | 2011-06-04 | Identifier: | 2'-chlorobiphenyl-2,3-diol |
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| BP6 | Name: | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | Formula: | C12 H8 Cl2 O2 | SMILES: | Clc2cccc(Cl)c2c1c(O)c(O)ccc1 | InChi: | InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H | Definition date: | 2002-05-01 | Last modified: | 2011-06-04 | Identifier: | 2',6'-dichlorobiphenyl-2,3-diol |
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| BPA | Name: | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | Formula: | C20 H16 O3 | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | InChi: | InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19+,20+/m1/s1 | Definition date: | 2001-06-18 | Last modified: | 2011-06-04 | Identifier: | (7S,8S,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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| BPD | Name: | N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID | Formula: | C21 H12 F3 N O5 | SMILES: | FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4 | InChi: | InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29) | Definition date: | 2000-01-28 | Last modified: | 2011-06-04 | Identifier: | 10-[3-(trifluoromethyl)phenyl]-10H-phenoxazine-4,6-dicarboxylic acid |
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| BPG | Name: | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | Formula: | C15 H17 N5 O2 | SMILES: | O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO | InChi: | InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 9-(4-hydroxybutyl)-2-(phenylamino)-1,9-dihydro-6H-purin-6-one |
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| BPN | Name: | PARANITROBENZYL ALCOHOL | Formula: | C7 H7 N O3 | SMILES: | [O-][N+](=O)c1ccc(cc1)CO | InChi: | InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4-nitrophenyl)methanol |
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| BPO | Name: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE | Formula: | C28 H28 N4 O3 | SMILES: | O=C(N2CCC(C(=O)c1ccccc1)CC2)C(c3ccccc3)NC(=O)c4cccc(C(=[N@H])N)c4 | InChi: | InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | Definition date: | 2001-07-18 | Last modified: | 2011-06-04 | Identifier: | 3-carbamimidoyl-N-{(1R)-2-oxo-1-phenyl-2-[4-(phenylcarbonyl)piperidin-1-yl]ethyl}benzamide |
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| S23 | Name: | N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine | Formula: | C21 H27 N2 O5 P | SMILES: | O=P(O)(C(N)C)CC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,18-,19+/m1/s1 | Definition date: | 2008-12-25 | Last modified: | 2011-06-04 | Identifier: | N-{(2S)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine |
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