 | | 0R3 | | Name: | {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | | Formula: | C25 H29 Cl2 N O4 | | SMILES: | O=C(O)CC3(C(=O)N(C(C(O)C)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3)C | | InChi: | InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1 | | Definition date: | 2012-04-23 | | Last modified: | 2012-05-18 | | Identifier: | {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid |
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 | | YAN | | Name: | 1,2-DICHLOROBENZENE | | Formula: | C6 H4 Cl2 | | SMILES: | Clc1ccccc1Cl | | InChi: | InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H | | Definition date: | 2007-02-12 | | Last modified: | 2011-06-04 | | Identifier: | 1,2-dichlorobenzene |
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 | | 446 | | Name: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid | | Formula: | C28 H23 Br N2 O6 | | SMILES: | O=C(O)CCC(=O)Nc1ccc(cc1)CN3C(=C(c2c(ccc(Br)c2)C3=O)c4ccccc4)C(=O)OC | | InChi: | InChI=1S/C28H23BrN2O6/c1-37-28(36)26-25(18-5-3-2-4-6-18)22-15-19(29)9-12-21(22)27(35)31(26)16-17-7-10-20(11-8-17)30-23(32)13-14-24(33)34/h2-12,15H,13-14,16H2,1H3,(H,30,32)(H,33,34) | | Definition date: | 2007-11-28 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid |
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 | | CHX | | Name: | CYCLOHEXANE | | Formula: | C6 H12 | | SMILES: | C1CCCCC1 | | InChi: | InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexane |
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 | | CO2 | | Name: | CARBON DIOXIDE | | Formula: | C O2 | | SMILES: | O=C=O | | InChi: | InChI=1S/CO2/c2-1-3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | dioxomethane |
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 | | MO | | Name: | MOLYBDENUM ATOM | | Formula: | Mo | | SMILES: | [Mo] | | InChi: | InChI=1S/Mo | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | molybdenum |
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 | | 789 | | Name: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE | | Formula: | C15 H9 Br O3 | | SMILES: | BrC=2c1ccc(O)cc1C(=O)C=2c3ccc(O)cc3 | | InChi: | InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H | | Definition date: | 2005-04-13 | | Last modified: | 2011-06-04 | | Identifier: | 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one |
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 | | AGU | | Name: | AMINOGUANIDINE | | Formula: | C H6 N4 | | SMILES: | [N@H]=C(N)NN | | InChi: | InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | hydrazinecarboximidamide |
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 | | RO6 | | Name: | 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | | Formula: | C18 H20 Cl N5 O2 | | SMILES: | Clc1ccccc1N3C(=O)Nc2nc(ncc2C3)NC4CCC(O)CC4 | | InChi: | InChI=1S/C18H20ClN5O2/c19-14-3-1-2-4-15(14)24-10-11-9-20-17(22-16(11)23-18(24)26)21-12-5-7-13(25)8-6-12/h1-4,9,12-13,25H,5-8,10H2,(H2,20,21,22,23,26)/t12-,13- | | Definition date: | 2009-01-13 | | Last modified: | 2011-06-04 | | Identifier: | 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
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