General Information of the Compound
| Compound ID |
CP0514141
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| Compound Name |
(S)-1-(3,5-Bis-trifluoromethyl-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide
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| Structure |
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| Formula |
C32H32F6N4O2S
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| Molecular Weight |
650.689
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H32F6N4O2S/c1-41(20-22-11-6-3-7-12-22)29(44)26(17-21-9-4-2-5-10-21)40-28(43)27-13-8-14-42(27)30(45)39-19-23-15-24(31(33,34)35)18-25(16-23)32(36,37)38/h2-7,9-12,15-16,18,26-27H,8,13-14,17,19-20H2,1H3,(H,39,45)(H,40,43)/t26-,27-/m0/s1
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| InChIKey |
OBQDMMSVYONKRG-SVBPBHIXSA-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