General Information of the Compound
Compound ID
CP0244993
Compound Name
6-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
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Structure
Formula
C29H36N4O4
Molecular Weight
504.631
Canonical SMILES
COc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CCC(C)CC1
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InChI
InChI=1S/C29H36N4O4/c1-20-3-7-24(8-4-20)31-28(34)26-18-22-17-23(21-5-9-25(36-2)10-6-21)19-30-27(22)33(29(26)35)12-11-32-13-15-37-16-14-32/h5-6,9-10,17-20,24H,3-4,7-8,11-16H2,1-2H3,(H,31,34)
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InChIKey
KATATUKOZWWQRI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7128
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
85.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 101882737
ChEMBL ID
CHEMBL3353451
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)  1
1
IC50 = 54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.47 nM