General Information of the Compound
| Compound ID |
CP0384345
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| Compound Name |
(S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-methyl-amide
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| Structure |
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| Formula |
C35H37ClN4O2S
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| Molecular Weight |
613.227
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl
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| InChI |
InChI=1S/C35H37ClN4O2S/c1-38(24-25-11-4-3-5-12-25)33(41)32(22-26-18-19-27-13-6-7-14-28(27)21-26)39(2)34(42)31-17-10-20-40(31)35(43)37-23-29-15-8-9-16-30(29)36/h3-9,11-16,18-19,21,31-32H,10,17,20,22-24H2,1-2H3,(H,37,43)/t31-,32-/m0/s1
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| InChIKey |
RGYAEWZDVHSMCE-ACHIHNKUSA-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