General Information of the Compound
Compound ID
CP0499114
Compound Name
1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
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Structure
Formula
C20H26N2O3
Molecular Weight
342.439
Canonical SMILES
CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCCO)c1=O
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InChI
InChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
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InChIKey
CAWKIUQGAAELLD-UHFFFAOYSA-N
Physicochemical Property
logP
2.6924
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
71.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 118735889
ChEMBL ID
CHEMBL3422789
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 = 3761 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 = 36 nM
   TI
   LI
   LO
   TS