General Information of the Compound
| Compound ID |
CP0510134
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| Compound Name |
(S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-1-yl-ethyl]-amide
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| Structure |
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| Formula |
C34H35ClN4O2S
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| Molecular Weight |
599.2
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl
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| InChI |
InChI=1S/C34H35ClN4O2S/c1-38(23-24-11-3-2-4-12-24)33(41)30(21-26-16-9-15-25-13-5-7-17-28(25)26)37-32(40)31-19-10-20-39(31)34(42)36-22-27-14-6-8-18-29(27)35/h2-9,11-18,30-31H,10,19-23H2,1H3,(H,36,42)(H,37,40)/t30-,31-/m0/s1
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| InChIKey |
XRKJXJABWKMSDY-CONSDPRKSA-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