General Information of the Compound
Compound ID
CP0496576
Compound Name
3-ethoxy-5-(3-fluorophenyl)-N-(6-methylpyridin-2-yl)pyridin-2-amine
    Show/Hide
Structure
Formula
C19H18FN3O
Molecular Weight
323.371
Canonical SMILES
CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccc(F)c1
    Show/Hide
InChI
InChI=1S/C19H18FN3O/c1-3-24-17-11-15(14-7-5-8-16(20)10-14)12-21-19(17)23-18-9-4-6-13(2)22-18/h4-12H,3H2,1-2H3,(H,21,22,23)
    Show/Hide
InChIKey
IPDVTRZYAHHNMH-UHFFFAOYSA-N
Physicochemical Property
logP
4.73342
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
47.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11267265
SID: 16353344
ChEMBL ID
CHEMBL370784
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 = 126 nM
   TI
   LI
   LO
   TS