General Information of the Compound
Compound ID
CP0051325
Compound Name
N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
    Show/Hide
Structure
Formula
C23H26Cl2N4O
Molecular Weight
445.394
Canonical SMILES
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
    Show/Hide
InChI
InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
    Show/Hide
InChIKey
LUIAQRSHMYHZAQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.95756
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
51.85
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24768476
SID: 49840565
ChEMBL ID
CHEMBL271824
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 = 25 nM
   TI
   LI
   LO
   TS
2
Ki = 14 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 14 nM
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 = 1.7 nM
   TI
   LI
   LO
   TS
2
Ki = 1.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.3 nM