General Information of the Compound
Compound ID
CP0485253
Compound Name
7-methyl-2-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine
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Structure
Formula
C17H17N3O3
Molecular Weight
311.341
Canonical SMILES
COc1cc(cc(OC)c1OC)-c1ncc2ccc(C)nc2n1
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InChI
InChI=1S/C17H17N3O3/c1-10-5-6-11-9-18-16(20-17(11)19-10)12-7-13(21-2)15(23-4)14(8-12)22-3/h5-9H,1-4H3
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InChIKey
VZCMIAZMXSMMBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.02602
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
66.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 44435037
ChEMBL ID
CHEMBL239196
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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   LI
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   TS