AZ12419304

Ligand id: 7734

Name: AZ12419304

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 74.33
Molecular weight 453.14
XLogP 4.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide
Synonyms
AZ 12419304 | AZ-12419304
Comments
From patent searching it looks likely that this compound is Example 9 from patent WO2007113558 A2, which gives affinity data in line with that provided on the compound's page in AstaZeneca's Open Innovation Pharmacology Toolbox [1]. Converting the chemical name (4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide) to smiles leads to PubChem CID 16750158. This is the structure we show here.
Database Links
GtoPdb PubChem SID 223366067
PubChem CID 16750158
Search Google for chemical match using the InChIKey QOTCLGLPFWDADD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QOTCLGLPFWDADD
Search UniChem for chemical match using the InChIKey QOTCLGLPFWDADD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QOTCLGLPFWDADD