General Information of the Compound
Compound ID
CP0529789
Compound Name
5-bromo-2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
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Structure
Formula
C22H20BrCl2N3O2
Molecular Weight
509.231
Canonical SMILES
O[C@H]1CCCC[C@@H]1NC(=O)c1nc(-c2ccccc2Cl)n(c1Br)-c1ccc(Cl)cc1
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InChI
InChI=1S/C22H20BrCl2N3O2/c23-20-19(22(30)26-17-7-3-4-8-18(17)29)27-21(15-5-1-2-6-16(15)25)28(20)14-11-9-13(24)10-12-14/h1-2,5-6,9-12,17-18,29H,3-4,7-8H2,(H,26,30)/t17-,18-/m0/s1
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InChIKey
WUGVPGYVQXCPMU-ROUUACIJSA-N
Physicochemical Property
logP
5.6419
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44425219
ChEMBL ID
CHEMBL396739
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 = 19 nM
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