General Information of the Compound
Compound ID
CP0316964
Compound Name
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C26H33N3O3
Molecular Weight
435.568
Canonical SMILES
CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCO2)C(=O)N(CC)CC)cc1
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InChI
InChI=1S/C26H33N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h9-14,17,22H,4-8,15-16,18H2,1-3H3/t22-/m1/s1
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InChIKey
OOYWJMMDIGXFRM-JOCHJYFZSA-N
Physicochemical Property
logP
4.6868
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
56.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44561007
ChEMBL ID
CHEMBL512886
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 = 8.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 23 nM