General Information of the Compound
Compound ID
CP0529812
Compound Name
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-(dimethylamino)-2-methylpropanoyl)-4-methyl-1H-pyrazole-3-carboxamide
    Show/Hide
Structure
Formula
C23H23Cl3N4O2
Molecular Weight
493.822
Canonical SMILES
CN(C)C(C)(C)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C23H23Cl3N4O2/c1-13-19(21(31)27-22(32)23(2,3)29(4)5)28-30(18-11-10-16(25)12-17(18)26)20(13)14-6-8-15(24)9-7-14/h6-12H,1-5H3,(H,27,31,32)
    Show/Hide
InChIKey
RZFOQCSWONKABC-UHFFFAOYSA-N
Physicochemical Property
logP
5.40452
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
67.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 24880842
SID: 50136506
ChEMBL ID
CHEMBL526467
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
IC50 = 82.9 nM
   TI
   LI
   LO
   TS