 | | 732 | | Name: | 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide | | Formula: | C20 H23 Cl N2 O3 | | SMILES: | O=C(c2oc(c1ccc(Cl)cc1)cc2)NC(C(=O)NC)C3CCCCC3 | | InChi: | InChI=1S/C20H23ClN2O3/c1-22-20(25)18(14-5-3-2-4-6-14)23-19(24)17-12-11-16(26-17)13-7-9-15(21)10-8-13/h7-12,14,18H,2-6H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1 | | Definition date: | 2009-07-13 | | Last modified: | 2011-06-04 | | Identifier: | 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide |
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 | | 736 | | Name: | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | | Formula: | C24 H29 Cl N4 O2 S | | SMILES: | O=S(=O)(N5CCC(C4c1ccc(Cl)cc1C(N2CCNCC2)=Cc3cccnc34)CC5)C | | InChi: | InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1 | | Definition date: | 2005-10-27 | | Last modified: | 2011-06-04 | | Identifier: | (11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine |
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 | | 738 | | Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | | Formula: | C16 H13 F N2 O S | | SMILES: | Fc1ccccc1C(=O)Nc2sc3c(c2C#N)CCCC3 | | InChi: | InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20) | | Definition date: | 2006-12-07 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide |
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 | | 744 | | Name: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | | Formula: | C18 H23 Cl N2 O2 | | SMILES: | Clc1cc(c(cc1)C)NC(=O)C3CC(=O)N(C2CCCCC2)C3 | | InChi: | InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1 | | Definition date: | 2006-06-15 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide |
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 | | 745 | | Name: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE | | Formula: | C20 H18 N2 | | SMILES: | [N@H]=C(N)c2ccc1cc(ccc1c2)C4CC4c3ccccc3 | | InChi: | InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1 | | Definition date: | 2004-08-01 | | Last modified: | 2011-06-04 | | Identifier: | 6-[(1R,2R)-2-phenylcyclopropyl]naphthalene-2-carboximidamide |
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 | | 757 | | Name: | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid | | Formula: | C42 H45 F2 N5 O12 S | | SMILES: | O=C(O)c1cc(cc(C(=O)O)c1)NC(=O)C(NC(=O)CC(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccccc2)C)c3)COc4cc(F)cc(F)c4)C(C)C | | InChi: | InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35-,37+/m1/s1 | | Definition date: | 2008-07-03 | | Last modified: | 2011-06-04 | | Identifier: | 5-{[(2S)-2-{[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-{[(3-[methyl(methylsulfonyl)amino]-5-{[(1R)-1-phenylethyl]carbamoyl}phenyl)carbonyl]amino}pentanoyl]amino}-3-methylbutanoyl]amino}benzene-1,3-dicarboxylic acid (non-preferred name) |
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 | | 761 | | Name: | 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID | | Formula: | C13 H9 N O5 | | SMILES: | O=C(O)C(=O)Nc2c(cc1c(cccc1)c2)C(=O)O | | InChi: | InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19) | | Definition date: | 2000-04-18 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(carboxycarbonyl)amino]naphthalene-2-carboxylic acid |
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 | | BZA | | Name: | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL | | Formula: | C18 H16 O3 | | SMILES: | OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O | | InChi: | InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S,4S)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol |
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 | | BZB | | Name: | BENZO[B]THIOPHENE-2-BORONIC ACID | | Formula: | C8 H7 B O2 S | | SMILES: | OB(O)c2sc1ccccc1c2 | | InChi: | InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H | | Definition date: | 1999-08-05 | | Last modified: | 2011-06-04 | | Identifier: | 1-benzothiophen-2-ylboronic acid |
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 | | BZF | | Name: | BENZOFURAN | | Formula: | C8 H6 O | | SMILES: | o2c1ccccc1cc2 | | InChi: | InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-benzofuran |
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 | | BZI | | Name: | BENZIMIDAZOLE | | Formula: | C7 H6 N2 | | SMILES: | n2c1ccccc1nc2 | | InChi: | InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1H-benzimidazole |
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 | | BZM | | Name: | BENZOIC ACID PHENYLMETHYLESTER | | Formula: | C14 H12 O2 | | SMILES: | O=C(OCc1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 | | Definition date: | 2000-03-06 | | Last modified: | 2011-06-04 | | Identifier: | benzyl benzoate |
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 | | BZR | | Name: | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL | | Formula: | C18 H16 O3 | | SMILES: | OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O | | InChi: | InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m1/s1 | | Definition date: | 2000-11-20 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4R)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol |
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 | | BZS | | Name: | L-BENZYLSUCCINIC ACID | | Formula: | C11 H12 O4 | | SMILES: | O=C(O)CC(C(=O)O)Cc1ccccc1 | | InChi: | InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-benzylbutanedioic acid |
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 | | BZX | | Name: | 1,3-benzodioxol-5-ol | | Formula: | C7 H6 O3 | | SMILES: | O1c2ccc(O)cc2OC1 | | InChi: | InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 | | Definition date: | 2010-09-28 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-benzodioxol-5-ol |
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 | | BZZ | | Name: | BENZYLHYDRAZINE | | Formula: | C7 H10 N2 | | SMILES: | NNCc1ccccc1 | | InChi: | InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2 | | Definition date: | 2006-11-30 | | Last modified: | 2011-06-04 | | Identifier: | benzylhydrazine |
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 | | C00 | | Name: | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | | Formula: | C21 H15 N O3 | | SMILES: | O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C | | InChi: | InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3 | | Definition date: | 2008-01-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione |
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 | | C03 | | Name: | (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID | | Formula: | C28 H22 Cl F3 N2 O6 | | SMILES: | O=C(O)C(Oc1cc(c(Cl)cc1)Cn5c2cc(OC(F)(F)F)ccc2c(c4noc3cc(OC)ccc34)c5C)C | | InChi: | InChI=1S/C28H22ClF3N2O6/c1-14-25(26-21-8-4-17(37-3)12-24(21)40-33-26)20-7-5-19(39-28(30,31)32)11-23(20)34(14)13-16-10-18(6-9-22(16)29)38-15(2)27(35)36/h4-12,15H,13H2,1-3H3,(H,35,36)/t15-/m1/s1 | | Definition date: | 2007-04-05 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl}phenoxy)propanoic acid |
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 | | C0E | | Name: | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid | | Formula: | C12 H8 F2 O4 | | SMILES: | O=C(c1ccc(F)cc1)C=CC(/F)=C(/O)C(=O)O | | InChi: | InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9- | | Definition date: | 2007-11-07 | | Last modified: | 2011-06-04 | | Identifier: | (2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid |
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 | | C16 | | Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile | | Formula: | C16 H10 N2 O2 | | SMILES: | N#Cc1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C | | InChi: | InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3 | | Definition date: | 2007-12-18 | | Last modified: | 2011-06-04 | | Identifier: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile |
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 | | C17 | | Name: | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE | | Formula: | C17 H11 Cl O4 | | SMILES: | Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3 | | InChi: | InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2 | | Definition date: | 2007-07-13 | | Last modified: | 2011-06-04 | | Identifier: | 7-[(3-chlorobenzyl)oxy]-2-oxo-2H-chromene-4-carbaldehyde |
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 | | C1B | | Name: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID | | Formula: | C26 H24 N6 O7 | | SMILES: | O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4 | | InChi: | InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)/t14-/m1/s1 | | Definition date: | 2005-10-14 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-{5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5'-[(carbamoylamino)methyl]-2',6-dihydroxybiphenyl-3-yl}butanedioic acid |
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 | | C1D | | Name: | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL | | Formula: | C20 H30 Cl F2 N7 O | | SMILES: | FC(F)(c1ncccc1)CNC2=NC=C(Cl)N(C2O)CCNCC3C(NC(N)CC3)C | | InChi: | InChI=1S/C20H30ClF2N7O/c1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15/h2-4,7,11,13-14,17,19,25,29,31H,5-6,8-10,12,24H2,1H3,(H,27,28)/t13?,14?,17-,19?/m1/s1 | | Definition date: | 2005-07-27 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-[2-({[(2R,3S,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,2-dihydropyrazin-2-ol |
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 | | C1E | | Name: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid | | Formula: | C12 H9 Cl O4 | | SMILES: | O=C(C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9- | | Definition date: | 2007-11-06 | | Last modified: | 2011-06-04 | | Identifier: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid |
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 | | C1T | | Name: | S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-L-cysteine | | Formula: | C10 H13 N O6 S | | SMILES: | CC1=C(O)C(=O)[CH](SC[CH](N)C(O)=O)[CH](O)C1=O | | InChi: | InChI=1S/C10H13NO6S/c1-3-5(12)7(14)9(8(15)6(3)13)18-2-4(11)10(16)17/h4,7,9,13-14H,2,11H2,1H3,(H,16,17)/t4-,7+,9-/m0/s1 | | Definition date: | 2009-12-07 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-azanyl-3-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxo-cyclohex-3-en-1-yl]sulfanyl-propanoic acid |
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