General Information of the Compound
Compound ID
CP0410517
Compound Name
N-(4-methylcyclohexyl)-2-oxo-1-pentylquinoline-3-carboxamide
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Structure
Formula
C22H30N2O2
Molecular Weight
354.494
Canonical SMILES
CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O
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InChI
InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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InChIKey
VZKVXWUSSUGQGY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5002
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 118735888
ChEMBL ID
CHEMBL3422788
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 = 227 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.995 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.5 nM
   TI
   LI
   LO
   TS