General Information of the Compound
Compound ID
CP0394845
Compound Name
3-Hydroxy-6-methyl-pyridine-2-carboxylic acid (6-methyl-pyridin-2-yl)-amide
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Structure
Formula
C13H13N3O2
Molecular Weight
243.266
Canonical SMILES
Cc1cccc(NC(=O)c2nc(C)ccc2O)n1
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InChI
InChI=1S/C13H13N3O2/c1-8-4-3-5-11(14-8)16-13(18)12-10(17)7-6-9(2)15-12/h3-7,17H,1-2H3,(H,14,16,18)
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InChIKey
DQPDVUHMHZDBEK-UHFFFAOYSA-N
Physicochemical Property
logP
2.05134
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 11241984
SID: 16326360
ChEMBL ID
CHEMBL180964
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 7 nM
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