General Information of the Compound
Compound ID
CP0461224
Compound Name
2-cyclohexyl-5-(2-morpholinoethyl)-2H-pyrazolo[4,3-c]quinolin-3(5H)-one
    Show/Hide
Structure
Formula
C22H28N4O2
Molecular Weight
380.492
Canonical SMILES
O=c1n(nc2c1cn(CCN1CCOCC1)c1ccccc21)C1CCCCC1
    Show/Hide
InChI
InChI=1S/C22H28N4O2/c27-22-19-16-25(11-10-24-12-14-28-15-13-24)20-9-5-4-8-18(20)21(19)23-26(22)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2
    Show/Hide
InChIKey
QSWXXDOVOXZHMU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1402
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
52.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44444740
ChEMBL ID
CHEMBL250967
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 > 5600 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 > 7900 nM
   TI
   LI
   LO
   TS