General Information of the Compound
Compound ID
CP0501726
Compound Name
5,6-dimethyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
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Structure
Formula
C14H12N2O2
Molecular Weight
240.262
Canonical SMILES
Cc1cc2onc(-c3ccccc3)c2c(=O)n1C
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InChI
InChI=1S/C14H12N2O2/c1-9-8-11-12(14(17)16(9)2)13(15-18-11)10-6-4-3-5-7-10/h3-8H,1-2H3
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InChIKey
BTYZVJMWTDCGTR-UHFFFAOYSA-N
Physicochemical Property
logP
2.50192
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
48.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 22015563
ChEMBL ID
CHEMBL247263
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 > 2000 nM
   TI
   LI
   LO
   TS