compound 28 [PMID: 24387221]

Ligand id: 8793

Name: compound 28 [PMID: 24387221]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.91
Molecular weight 355.18
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one
Database Links
ChEMBL Ligand CHEMBL3112866
PubChem CID 49854424
RCSB PDB Ligand J82
Search Google for chemical match using the InChIKey UAXHPOBBKRWJGA-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone UAXHPOBBKRWJGA
Search UniChem for chemical match using the InChIKey UAXHPOBBKRWJGA-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone UAXHPOBBKRWJGA
Comments
Compound 28 is reported in a discovery effort to optimize pyrimidone indoline amide inhibitors of PI3Kβ [1].