General Information of the Compound
Compound ID
CP0484365
Compound Name
2-(3,5-dimethoxyphenyl)-7-methyl-1,8-naphthyridine
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Structure
Formula
C17H16N2O2
Molecular Weight
280.327
Canonical SMILES
COc1cc(OC)cc(c1)-c1ccc2ccc(C)nc2n1
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InChI
InChI=1S/C17H16N2O2/c1-11-4-5-12-6-7-16(19-17(12)18-11)13-8-14(20-2)10-15(9-13)21-3/h4-10H,1-3H3
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InChIKey
HLQFGPHGMCUXEM-UHFFFAOYSA-N
Physicochemical Property
logP
3.62242
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
44.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 24873536
SID: 50128678
ChEMBL ID
CHEMBL397618
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 51.7 nM
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