General Information of the Compound
Compound ID
CP0521605
Compound Name
2-(3,5-dimethoxyphenyl)-7-methylpyrido[2,3-d]pyrimidine
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Structure
Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
COc1cc(OC)cc(c1)-c1ncc2ccc(C)nc2n1
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InChI
InChI=1S/C16H15N3O2/c1-10-4-5-11-9-17-15(19-16(11)18-10)12-6-13(20-2)8-14(7-12)21-3/h4-9H,1-3H3
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InChIKey
BXBWXJUAOWSXFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.01742
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
57.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 44435035
ChEMBL ID
CHEMBL239836
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 = 179 nM
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