General Information of the Compound
Compound ID
CP0955209
Compound Name
1-ethyl-2-(hydroxydiphenylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C32H31N3O5
Molecular Weight
537.616
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc21
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InChI
InChI=1S/C32H31N3O5/c1-5-35-26-18-21(30(36)33-24-19-27(38-2)29(40-4)28(20-24)39-3)16-17-25(26)34-31(35)32(37,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-20,37H,5H2,1-4H3,(H,33,36)
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InChIKey
YBZDUZJFRCDJFS-UHFFFAOYSA-N
Physicochemical Property
logP
5.6185
Rotatable Bonds
9
Heavy Atom Count
40
Polar Areas
94.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
40

"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: 126726308
ChEMBL ID
CHEMBL4586967
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