General Information of the Compound
Compound ID
CP0372283
Compound Name
5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
    Show/Hide
Structure
Formula
C18H13N3O2
Molecular Weight
303.321
Canonical SMILES
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccncc1
    Show/Hide
InChI
InChI=1S/C18H13N3O2/c1-21-14(12-7-9-19-10-8-12)11-15-16(18(21)22)17(20-23-15)13-5-3-2-4-6-13/h2-11H,1H3
    Show/Hide
InChIKey
LJFFXXBCMTXSHN-UHFFFAOYSA-N
Physicochemical Property
logP
3.2555
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
60.92
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 22015566
SID: 99229521
ChEMBL ID
CHEMBL393714
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: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000473 MN9D Mus musculus (Mouse)  1
1
EC50 = 129.9 nM
   TI
   LI
   LO
   TS