General Information of the Compound
Compound ID
CP0465950
Compound Name
1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-pentyl-1H-pyrazole-3-carboxamide
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Structure
Formula
C22H26Cl2N4O
Molecular Weight
433.383
Canonical SMILES
CCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C22H26Cl2N4O/c1-5-6-7-12-25-21(29)20-16(4)22(27-14(2)8-9-15(27)3)28(26-20)19-11-10-17(23)13-18(19)24/h8-11,13H,5-7,12H2,1-4H3,(H,25,29)
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InChIKey
CMHCZVLVBJHYLV-UHFFFAOYSA-N
Physicochemical Property
logP
5.81506
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
51.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 50907495
SID: 111326226
ChEMBL ID
CHEMBL1631168
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 = 182.1 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 = 495.3 nM
   TI
   LI
   LO
   TS