General Information of the Compound
Compound ID
CP0562107
Compound Name
(3-Ethoxy-5-phenyl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1
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InChI
InChI=1S/C19H19N3O/c1-3-23-17-12-16(15-9-5-4-6-10-15)13-20-19(17)22-18-11-7-8-14(2)21-18/h4-13H,3H2,1-2H3,(H,20,21,22)
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InChIKey
USYOKDAUVHERQP-UHFFFAOYSA-N
Physicochemical Property
logP
4.59432
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
47.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44404893
ChEMBL ID
CHEMBL199193
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 = 267 nM
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