General Information of the Compound
Compound ID
CP0522363
Compound Name
1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
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Structure
Formula
C24H26N2O2
Molecular Weight
374.484
Canonical SMILES
O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
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InChI
InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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InChIKey
VRAAPPPBWYVIIW-UHFFFAOYSA-N
Physicochemical Property
logP
4.5024
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44444734
ChEMBL ID
CHEMBL250768
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 = 17 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 = 6.4 nM
   TI
   LI
   LO
   TS