General Information of the Compound
Compound ID
CP0157009
Compound Name
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)(piperidin-1-yl)methanone
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Structure
Formula
C26H31N3O2
Molecular Weight
417.553
Canonical SMILES
CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N2CCCCC2)cc1
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InChI
InChI=1S/C26H31N3O2/c1-2-31-22-11-8-19(9-12-22)16-25-27-23-17-21(26(30)28-14-4-3-5-15-28)10-13-24(23)29(25)18-20-6-7-20/h8-13,17,20H,2-7,14-16,18H2,1H3
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InChIKey
PMJHXDFPKIOWGP-UHFFFAOYSA-N
Physicochemical Property
logP
5.0619
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44561307
ChEMBL ID
CHEMBL453844
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 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.9 nM