General Information of the Compound
Compound ID
CP0523196
Compound Name
(3-Ethoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
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Structure
Formula
C13H15N3O
Molecular Weight
229.283
Canonical SMILES
CCOc1cccnc1Nc1cccc(C)n1
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InChI
InChI=1S/C13H15N3O/c1-3-17-11-7-5-9-14-13(11)16-12-8-4-6-10(2)15-12/h4-9H,3H2,1-2H3,(H,14,15,16)
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InChIKey
ORDSOSQROZOFQQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.92732
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
47.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 11368190
SID: 16461079
ChEMBL ID
CHEMBL426826
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 = 40 nM
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