General Information of the Compound
Compound ID
CP0401058
Compound Name
(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone
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Structure
Formula
C16H14N2O2
Molecular Weight
266.3
Canonical SMILES
COc1ccc(cc1)C(=O)n1c(C)nc2ccccc12
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InChI
InChI=1S/C16H14N2O2/c1-11-17-14-5-3-4-6-15(14)18(11)16(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3
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InChIKey
HETHTXFPJGGKQC-UHFFFAOYSA-N
Physicochemical Property
logP
3.04182
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 3258886
ChEMBL ID
CHEMBL3976311
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 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS