General Information of the Compound
Compound ID
CP0419754
Compound Name
(2-cyclohexylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
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Structure
Formula
C24H22N2O
Molecular Weight
354.453
Canonical SMILES
O=C(c1cccc2ccccc12)n1c(nc2ccccc12)C1CCCCC1
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InChI
InChI=1S/C24H22N2O/c27-24(20-14-8-12-17-9-4-5-13-19(17)20)26-22-16-7-6-15-21(22)25-23(26)18-10-2-1-3-11-18/h4-9,12-16,18H,1-3,10-11H2
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InChIKey
XJGRJPWJLWFQMW-UHFFFAOYSA-N
Physicochemical Property
logP
5.9257
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
34.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 134149771
ChEMBL ID
CHEMBL3938131
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS
2
Ki = 2900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
2
Ki = 400 nM
   TI
   LI
   LO
   TS