General Information of the Compound
Compound ID
CP0390566
Compound Name
N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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Structure
Formula
C20H20F2N4O
Molecular Weight
370.403
Canonical SMILES
Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCC1
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InChI
InChI=1S/C20H20F2N4O/c1-13-18(19(27)23-15-6-2-3-7-15)24-26(20(13)25-10-4-5-11-25)17-9-8-14(21)12-16(17)22/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,27)
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InChIKey
WJXDNXGFJBBWTC-UHFFFAOYSA-N
Physicochemical Property
logP
3.92202
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
51.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 45482293
ChEMBL ID
CHEMBL573087
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 = 2400 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 = 1100 nM
   TI
   LI
   LO
   TS