General Information of the Compound
Compound ID
CP0501798
Compound Name
3-(3,5-dimethylphenyl)-1,5-naphthyridine
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Structure
Formula
C16H14N2
Molecular Weight
234.302
Canonical SMILES
Cc1cc(C)cc(c1)-c1cnc2cccnc2c1
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InChI
InChI=1S/C16H14N2/c1-11-6-12(2)8-13(7-11)14-9-16-15(18-10-14)4-3-5-17-16/h3-10H,1-2H3
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InChIKey
NXEJUZMQMJIULC-UHFFFAOYSA-N
Physicochemical Property
logP
3.91364
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44434732
ChEMBL ID
CHEMBL235836
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 > 30000 nM
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