General Information of the Compound
Compound ID
CP0454319
Compound Name
N-cyclohexyl-7-(dimethylamino)-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
    Show/Hide
Structure
Formula
C23H33N5O3
Molecular Weight
427.549
Canonical SMILES
CN(C)c1ccc2c(n1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
    Show/Hide
InChI
InChI=1S/C23H33N5O3/c1-26(2)20-9-8-18-21(29)19(23(30)24-17-6-4-3-5-7-17)16-28(22(18)25-20)11-10-27-12-14-31-15-13-27/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,24,30)
    Show/Hide
InChIKey
IYGBYFCBJQWYSO-UHFFFAOYSA-N
Physicochemical Property
logP
1.8572
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
79.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 44444731
ChEMBL ID
CHEMBL400268
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 = 94 nM
   TI
   LI
   LO
   TS