General Information of the Compound
Compound ID
CP0446588
Compound Name
(2-cyclobutylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
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Structure
Formula
C22H18N2O
Molecular Weight
326.399
Canonical SMILES
O=C(c1cccc2ccccc12)n1c(nc2ccccc12)C1CCC1
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InChI
InChI=1S/C22H18N2O/c25-22(18-12-6-8-15-7-1-2-11-17(15)18)24-20-14-4-3-13-19(20)23-21(24)16-9-5-10-16/h1-4,6-8,11-14,16H,5,9-10H2
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InChIKey
GTIHQUYQNCEOJM-UHFFFAOYSA-N
Physicochemical Property
logP
5.1455
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
34.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 134142847
ChEMBL ID
CHEMBL3914550
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 = 9700 nM
   TI
   LI
   LO
   TS
2
Ki = 5800 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 = 5500 nM
   TI
   LI
   LO
   TS
2
Ki = 1400 nM
   TI
   LI
   LO
   TS