General Information of the Compound
Compound ID
CP0090823
Compound Name
2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-methyl-N-propyl-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C25H31N3O2
Molecular Weight
405.542
Canonical SMILES
CCCN(C)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
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InChI
InChI=1S/C25H31N3O2/c1-4-14-27(3)25(29)20-10-13-23-22(16-20)26-24(28(23)17-19-6-7-19)15-18-8-11-21(12-9-18)30-5-2/h8-13,16,19H,4-7,14-15,17H2,1-3H3
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InChIKey
UZTVZGCDXDFBLL-UHFFFAOYSA-N
Physicochemical Property
logP
4.9178
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44561274
ChEMBL ID
CHEMBL454607
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 3.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7.6 nM