General Information of the Compound
Compound ID
CP0396951
Compound Name
N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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Structure
Formula
C24H28F2N4O
Molecular Weight
426.511
Canonical SMILES
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCCC1
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InChI
InChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
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InChIKey
IHWKJXQSHWGFEW-UHFFFAOYSA-N
Physicochemical Property
logP
5.31906
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
51.85
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 45482300
ChEMBL ID
CHEMBL572860
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 = 56 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 = 110 nM
   TI
   LI
   LO
   TS