General Information of the Compound
Compound ID
CP0498354
Compound Name
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
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Structure
Formula
C21H28N4O3
Molecular Weight
384.48
Canonical SMILES
O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
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InChI
InChI=1S/C21H28N4O3/c26-20(23-17-6-2-1-3-7-17)18-15-16-5-4-8-22-19(16)25(21(18)27)10-9-24-11-13-28-14-12-24/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,23,26)
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InChIKey
JEEILHAWJQTJII-UHFFFAOYSA-N
Physicochemical Property
logP
1.7912
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
76.46
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 44157583
SID: 85157562
ChEMBL ID
CHEMBL466623
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 = 560 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 = 7.9 nM
   TI
   LI
   LO
   TS