General Information of the Compound
Compound ID
CP0403381
Compound Name
(5'-Ethoxy-[2,3']bipyridinyl-6'-yl)-(6-methyl-pyridin-2-yl)-amine
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Structure
Formula
C18H18N4O
Molecular Weight
306.369
Canonical SMILES
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccn1
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InChI
InChI=1S/C18H18N4O/c1-3-23-16-11-14(15-8-4-5-10-19-15)12-20-18(16)22-17-9-6-7-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)
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InChIKey
GZZWOVOSKRZICU-UHFFFAOYSA-N
Physicochemical Property
logP
3.98932
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 11220495
SID: 16303632
ChEMBL ID
CHEMBL382715
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 = 193 nM
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