General Information of the Compound
| Compound ID |
CP0529642
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| Compound Name |
(S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2,2-diphenyl-ethyl]-amide
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| Structure |
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| Formula |
C36H37ClN4O2S
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| Molecular Weight |
625.238
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H37ClN4O2S/c1-40(25-26-14-5-2-6-15-26)35(43)33(32(27-16-7-3-8-17-27)28-18-9-4-10-19-28)39-34(42)31-22-13-23-41(31)36(44)38-24-29-20-11-12-21-30(29)37/h2-12,14-21,31-33H,13,22-25H2,1H3,(H,38,44)(H,39,42)/t31-,33-/m0/s1
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| InChIKey |
DXCJHMJLWTYOCC-WEZIJMHWSA-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