General Information of the Compound
Compound ID
CP0529738
Compound Name
1-(4-chlorophenyl)-N-cyclohexyl-2-phenyl-1H-imidazole-4-carboxamide
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Structure
Formula
C22H22ClN3O
Molecular Weight
379.891
Canonical SMILES
Clc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NC1CCCCC1
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InChI
InChI=1S/C22H22ClN3O/c23-17-11-13-19(14-12-17)26-15-20(22(27)24-18-9-5-2-6-10-18)25-21(26)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,24,27)
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InChIKey
DASFMUKQHMITOG-UHFFFAOYSA-N
Physicochemical Property
logP
5.2552
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
46.92
Hydrogen Bond Donor Count
1
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: 22285546
ChEMBL ID
CHEMBL425662
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)  1
1
Ki = 130 nM
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