General Information of the Compound
Compound ID
CP0426923
Compound Name
N-cyclohexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
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Structure
Formula
C21H28N4O4
Molecular Weight
400.479
Canonical SMILES
Oc1c(C(=O)NC2CCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
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InChI
InChI=1S/C21H28N4O4/c26-18-16-7-4-8-22-19(16)25(10-9-24-11-13-29-14-12-24)21(28)17(18)20(27)23-15-5-2-1-3-6-15/h4,7-8,15,26H,1-3,5-6,9-14H2,(H,23,27)
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InChIKey
AKWQLJJWHBVVBC-UHFFFAOYSA-N
Physicochemical Property
logP
1.4968
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
96.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 60145524
SID: 143488671
ChEMBL ID
CHEMBL2022692
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 = 64.6 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 = 2.4 nM
   TI
   LI
   LO
   TS