General Information of the Compound
Compound ID
CP0390569
Compound Name
N-cycloheptyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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Structure
Formula
C22H24Cl2N4O
Molecular Weight
431.367
Canonical SMILES
Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
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InChI
InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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InChIKey
NMLIJLQSNMCBDN-UHFFFAOYSA-N
Physicochemical Property
logP
5.73082
Rotatable Bonds
4
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: 45482290
ChEMBL ID
CHEMBL576549
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 = 5.6 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 = 1.3 nM
   TI
   LI
   LO
   TS