General Information of the Compound
Compound ID
CP0362820
Compound Name
6-bromo-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
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Structure
Formula
C22H29BrN4O3
Molecular Weight
477.403
Canonical SMILES
CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCN2CCOCC2)c1=O
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InChI
InChI=1S/C22H29BrN4O3/c1-15-2-4-18(5-3-15)25-21(28)19-13-16-12-17(23)14-24-20(16)27(22(19)29)7-6-26-8-10-30-11-9-26/h12-15,18H,2-11H2,1H3,(H,25,28)
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InChIKey
FWNMCSJUCLCGGG-UHFFFAOYSA-N
Physicochemical Property
logP
2.7997
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
76.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 101882736
ChEMBL ID
CHEMBL3353442
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
IC50 = 32.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 59.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.26 nM