General Information of the Compound
Compound ID
CP0420649
Compound Name
(2-cyclopentylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
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Structure
Formula
C23H20N2O
Molecular Weight
340.426
Canonical SMILES
O=C(c1cccc2ccccc12)n1c(nc2ccccc12)C1CCCC1
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InChI
InChI=1S/C23H20N2O/c26-23(19-13-7-11-16-8-3-4-12-18(16)19)25-21-15-6-5-14-20(21)24-22(25)17-9-1-2-10-17/h3-8,11-15,17H,1-2,9-10H2
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InChIKey
YEAPPULZCJSLHC-UHFFFAOYSA-N
Physicochemical Property
logP
5.5356
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
34.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 134142473
ChEMBL ID
CHEMBL3915743
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 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 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 = 2900 nM
   TI
   LI
   LO
   TS
2
Ki = 700 nM
   TI
   LI
   LO
   TS