General Information of the Compound
Compound ID
CP0968802
Compound Name
4-((1,6-dimethyl-1H-benzo[d]imidazol-2-yl)(hydroxy)(phenyl)methyl)-1-methylpyridin-2(1H)-one
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Structure
Formula
C22H21N3O2
Molecular Weight
359.429
Canonical SMILES
Cc1ccc2nc(C(O)(c3ccccc3)c3ccn(C)c(=O)c3)n(C)c2c1
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InChI
InChI=1S/C22H21N3O2/c1-15-9-10-18-19(13-15)25(3)21(23-18)22(27,16-7-5-4-6-8-16)17-11-12-24(2)20(26)14-17/h4-14,27H,1-3H3
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InChIKey
YXXBQDLUOBLXDR-UHFFFAOYSA-N
Physicochemical Property
logP
2.86462
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
60.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 126726313
ChEMBL ID
CHEMBL4587510
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 > 1000 nM
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   LI
   LO
   TS