General Information of the Compound
Compound ID
CP0562428
Compound Name
6-(3-Ethoxy-pyridin-2-ylamino)-pyridine-2-carboxylic acid methyl ester
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Structure
Formula
C14H15N3O3
Molecular Weight
273.292
Canonical SMILES
CCOc1cccnc1Nc1cccc(n1)C(=O)OC
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InChI
InChI=1S/C14H15N3O3/c1-3-20-11-7-5-9-15-13(11)17-12-8-4-6-10(16-12)14(18)19-2/h4-9H,3H2,1-2H3,(H,15,16,17)
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InChIKey
RCDZSTBIPOCJJF-UHFFFAOYSA-N
Physicochemical Property
logP
2.4055
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
73.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 11346332
SID: 16437763
ChEMBL ID
CHEMBL196203
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 = 6200 nM
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