General Information of the Compound
Compound ID
CP0336524
Compound Name
7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxypyridin-2-yl)-1,3-benzoxazol-2-amine
    Show/Hide
Structure
Formula
C20H16FN3O3
Molecular Weight
365.364
Canonical SMILES
COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1
    Show/Hide
InChI
InChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24)
    Show/Hide
InChIKey
LRHLPBFCDHGQOT-UHFFFAOYSA-N
Physicochemical Property
logP
4.7897
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
69.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 90645210
ChEMBL ID
CHEMBL3297845
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: PT06683, Ribosomal protein S6 kinase alpha-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS