General Information of the Compound
| Compound ID |
CP0487373
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| Compound Name |
(S)-1-(2-Methyl-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide
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| Structure |
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| Formula |
C31H36N4O2S
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| Molecular Weight |
528.722
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1C
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| InChI |
InChI=1S/C31H36N4O2S/c1-23-12-9-10-17-26(23)21-32-31(38)35-19-11-18-28(35)29(36)33-27(20-24-13-5-3-6-14-24)30(37)34(2)22-25-15-7-4-8-16-25/h3-10,12-17,27-28H,11,18-22H2,1-2H3,(H,32,38)(H,33,36)/t27-,28-/m0/s1
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| InChIKey |
YPYHWGJECASGOL-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