General Information of the Compound
| Compound ID |
CP0516036
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| Compound Name |
(S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-methyl-amide
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| Structure |
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| Formula |
C31H35ClN4O2S
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| Molecular Weight |
563.167
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl
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| InChI |
InChI=1S/C31H35ClN4O2S/c1-34(22-24-14-7-4-8-15-24)29(37)28(20-23-12-5-3-6-13-23)35(2)30(38)27-18-11-19-36(27)31(39)33-21-25-16-9-10-17-26(25)32/h3-10,12-17,27-28H,11,18-22H2,1-2H3,(H,33,39)/t27-,28-/m0/s1
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| InChIKey |
POOFXMHSHQTGID-NSOVKSMOSA-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