General Information of the Compound
Compound ID
CP0376652
Compound Name
1-(2,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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Structure
Formula
C25H22Cl4N4O
Molecular Weight
536.29
Canonical SMILES
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C25H22Cl4N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-8-19(27)13-21(22)29)24(34)30-11-10-17-6-7-18(26)12-20(17)28/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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InChIKey
CASPBZLKADMKDN-UHFFFAOYSA-N
Physicochemical Property
logP
7.17436
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
51.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 45482230
ChEMBL ID
CHEMBL577791
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 = 156 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 3940 nM
   TI
   LI
   LO
   TS