compound 5d [PMID: 31335136]

Ligand id: 10441

Name: compound 5d [PMID: 31335136]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 120.91
Molecular weight 542.14
XLogP 3.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(3-methyloxetan-3-yl)methoxy]quinazolin-6-yl]pyridin-3-yl]benzenesulfonamide
Synonyms
Example 59 [WO2018121550]
Comments
Compound 5d is a potent, 4-methylquinazoline-based pan-PI3K inhibitor [1]. It is one of the examples claimed in patent WO2018121550A1 from the Institute of Pharmaceutical Research, Chinese Academy of Medical Sciences [2].
Database Links
GtoPdb PubChem SID 385612201
PubChem CID 135197617
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