General Information of the Compound
Compound ID
CP0454189
Compound Name
N-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
    Show/Hide
Structure
Formula
C22H30N4O3
Molecular Weight
398.507
Canonical SMILES
O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
    Show/Hide
InChI
InChI=1S/C22H30N4O3/c27-21(24-18-7-3-1-2-4-8-18)19-16-17-6-5-9-23-20(17)26(22(19)28)11-10-25-12-14-29-15-13-25/h5-6,9,16,18H,1-4,7-8,10-15H2,(H,24,27)
    Show/Hide
InChIKey
UKRJUUUJFSJSEM-UHFFFAOYSA-N
Physicochemical Property
logP
2.1813
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
76.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 44157743
SID: 85157763
ChEMBL ID
CHEMBL467475
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 = 18 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 = 3 nM
   TI
   LI
   LO
   TS