General Information of the Compound
Compound ID
CP0965055
Compound Name
1-ethyl-2-(hydroxydiphenylmethyl)-N-(5-methoxypyridin-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C29H26N4O3
Molecular Weight
478.552
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cncc(OC)c3)cc21
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InChI
InChI=1S/C29H26N4O3/c1-3-33-26-16-20(27(34)31-23-17-24(36-2)19-30-18-23)14-15-25(26)32-28(33)29(35,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-19,35H,3H2,1-2H3,(H,31,34)
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InChIKey
ANZSBXBQBSMHBR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9963
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
89.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 126726376
ChEMBL ID
CHEMBL4557968
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 < 50 nM
   TI
   LI
   LO
   TS