General Information of the Compound
Compound ID
CP0385256
Compound Name
[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
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Structure
Formula
C25H18N2O2
Molecular Weight
378.431
Canonical SMILES
COc1ccc(cc1)-c1nc2ccccc2n1C(=O)c1cccc2ccccc12
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InChI
InChI=1S/C25H18N2O2/c1-29-19-15-13-18(14-16-19)24-26-22-11-4-5-12-23(22)27(24)25(28)21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
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InChIKey
MMGRWMUFGYUWDV-UHFFFAOYSA-N
Physicochemical Property
logP
5.5536
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 134156578
ChEMBL ID
CHEMBL3984372
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 = 8100 nM
   TI
   LI
   LO
   TS
2
Ki = 4900 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 = 7700 nM
   TI
   LI
   LO
   TS
2
Ki = 1900 nM
   TI
   LI
   LO
   TS