General Information of the Compound
| Compound ID |
CP0455519
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| Compound Name |
(2S,3R,4S,5R)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-(2,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C29H33Cl2NO4
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| Molecular Weight |
530.492
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| Canonical SMILES |
CC(C)(C)[C@H]1[C@@H]([C@@H](N([C@@H]1C(O)=O)C(=O)C1CCCCC1)c1ccccc1)C(=O)c1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C29H33Cl2NO4/c1-29(2,3)23-22(26(33)20-16-19(30)14-15-21(20)31)24(17-10-6-4-7-11-17)32(25(23)28(35)36)27(34)18-12-8-5-9-13-18/h4,6-7,10-11,14-16,18,22-25H,5,8-9,12-13H2,1-3H3,(H,35,36)/t22-,23-,24-,25-/m0/s1
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| InChIKey |
VIBFLUQJARJJHB-QORCZRPOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound