General Information of the Compound
Compound ID
CP0959329
Compound Name
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-phenyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C30H27N3O3
Molecular Weight
477.564
Canonical SMILES
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(-c3ccccc3)c2c1
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InChI
InChI=1S/C30H27N3O3/c1-21(34)20-31-28(35)22-17-18-26-27(19-22)33(25-15-9-4-10-16-25)29(32-26)30(36,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-19,21,34,36H,20H2,1H3,(H,31,35)/t21-/m1/s1
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InChIKey
QVBLRMKPAPLFJS-OAQYLSRUSA-N
Physicochemical Property
logP
4.4203
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
87.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
36

"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).

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PubChem ID
CID: 118519291
ChEMBL ID
CHEMBL4571879
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 250 nM
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