General Information of the Compound
Compound ID
CP0496733
Compound Name
(3-Methoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
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Structure
Formula
C12H13N3O
Molecular Weight
215.256
Canonical SMILES
COc1cccnc1Nc1cccc(C)n1
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InChI
InChI=1S/C12H13N3O/c1-9-5-3-7-11(14-9)15-12-10(16-2)6-4-8-13-12/h3-8H,1-2H3,(H,13,14,15)
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InChIKey
AXYSWEVLAQUWGT-UHFFFAOYSA-N
Physicochemical Property
logP
2.53722
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
47.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 11413259
SID: 16509333
ChEMBL ID
CHEMBL196536
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: PT02829, Acid-sensing ion channel 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 190000 nM
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   LI
   LO
   TS
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 = 458 nM
   TI
   LI
   LO
   TS