General Information of the Compound
Compound ID
CP0279328
Compound Name
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpiperidin-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C28H38N4O2
Molecular Weight
462.638
Canonical SMILES
CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2C)C(=O)N(CC)CC)cc1
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InChI
InChI=1S/C28H38N4O2/c1-5-31(6-2)28(33)22-13-16-26-25(19-22)29-27(18-21-11-14-24(15-12-21)34-7-3)32(26)20-23-10-8-9-17-30(23)4/h11-16,19,23H,5-10,17-18,20H2,1-4H3/t23-/m1/s1
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InChIKey
LYOSBZRAIUENPE-HSZRJFAPSA-N
Physicochemical Property
logP
4.9921
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
50.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 9825614
SID: 14784761
ChEMBL ID
CHEMBL488310
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 = 2.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8.9 nM