General Information of the Compound
Compound ID
CP0946768
Compound Name
N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)benzamide
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Structure
Formula
C29H25N3O2
Molecular Weight
447.538
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)c3ccccc3)cc21
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InChI
InChI=1S/C29H25N3O2/c1-2-32-26-20-24(30-27(33)21-12-6-3-7-13-21)18-19-25(26)31-28(32)29(34,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20,34H,2H2,1H3,(H,30,33)
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InChIKey
RMTZHIBJMXNZNJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5927
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 126729874
ChEMBL ID
CHEMBL4565699
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
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS