General Information of the Compound
Compound ID
CP0513750
Compound Name
N-cycloheptyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
    Show/Hide
Structure
Formula
C22H30N4O4
Molecular Weight
414.506
Canonical SMILES
Oc1c(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
    Show/Hide
InChI
InChI=1S/C22H30N4O4/c27-19-17-8-5-9-23-20(17)26(11-10-25-12-14-30-15-13-25)22(29)18(19)21(28)24-16-6-3-1-2-4-7-16/h5,8-9,16,27H,1-4,6-7,10-15H2,(H,24,28)
    Show/Hide
InChIKey
XCYAXEAHVHAWGY-UHFFFAOYSA-N
Physicochemical Property
logP
1.8869
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
96.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 60145526
SID: 143488673
ChEMBL ID
CHEMBL2022694
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 = 234 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 = 1.8 nM
   TI
   LI
   LO
   TS