General Information of the Compound
Compound ID
CP0327685
Compound Name
1-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)methyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C24H30N4O2
Molecular Weight
406.53
Canonical SMILES
CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)nc1
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InChI
InChI=1S/C24H30N4O2/c1-4-27(5-2)24(29)18-9-12-22-21(13-18)26-23(28(22)16-17-7-8-17)14-19-10-11-20(15-25-19)30-6-3/h9-13,15,17H,4-8,14,16H2,1-3H3
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InChIKey
RJYQAFGYQJXSBT-UHFFFAOYSA-N
Physicochemical Property
logP
4.3128
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 44561308
ChEMBL ID
CHEMBL453843
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 = 22 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 27 nM