General Information of the Compound
| Compound ID |
CP0398751
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| Compound Name |
(2S)-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C24H27ClN4O2
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| Molecular Weight |
438.959
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| Canonical SMILES |
Clc1ccc2n(C3CCN(CCNC(=O)C4C[C@@H]4c4ccccc4)CC3)c(=O)[nH]c2c1
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| InChI |
InChI=1S/C24H27ClN4O2/c25-17-6-7-22-21(14-17)27-24(31)29(22)18-8-11-28(12-9-18)13-10-26-23(30)20-15-19(20)16-4-2-1-3-5-16/h1-7,14,18-20H,8-13,15H2,(H,26,30)(H,27,31)/t19-,20?/m1/s1
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| InChIKey |
ZNFHTAUUBDJHTE-FIWHBWSRSA-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2