General Information of the Compound
Compound ID
CP0541308
Compound Name
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenyl-1H-imidazol-4-yl)-1H-pyrazole
    Show/Hide
Structure
Formula
C25H18Cl2N4
Molecular Weight
445.353
Canonical SMILES
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3
    Show/Hide
InChIKey
SKUJRFWLYROKKQ-UHFFFAOYSA-N
Physicochemical Property
logP
7.00722
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
35.64
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45484814
ChEMBL ID
CHEMBL568221
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.8 nM
   TI
   LI
   LO
   TS