General Information of the Compound
Compound ID
CP0965053
Compound Name
N-(3,5-dimethoxyphenyl)-1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C31H29N3O4
Molecular Weight
507.59
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc21
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InChI
InChI=1S/C31H29N3O4/c1-4-34-28-17-21(29(35)32-24-18-25(37-2)20-26(19-24)38-3)15-16-27(28)33-30(34)31(36,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-20,36H,4H2,1-3H3,(H,32,35)
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InChIKey
UYEANJYLSATZQC-UHFFFAOYSA-N
Physicochemical Property
logP
5.6099
Rotatable Bonds
8
Heavy Atom Count
38
Polar Areas
85.61
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
38

"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: 126726317
ChEMBL ID
CHEMBL4558580
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