compound 14 [PMID: 23634668]

Ligand id: 8557

Name: compound 14 [PMID: 23634668]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 91.32
Molecular weight 480.23
XLogP 5.96
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]propan-2-yl]acetamide
Database Links
PubChem CID 71663862
Search Google for chemical match using the InChIKey NHHPRDYQOKYIBK-VWLOTQADSA-N
Search Google for chemicals with the same backbone NHHPRDYQOKYIBK
Search UniChem for chemical match using the InChIKey NHHPRDYQOKYIBK-VWLOTQADSA-N
Search UniChem for chemicals with the same backbone NHHPRDYQOKYIBK
Comments
Compound 14 is reported as a selective inhibitor of methionyl aminopeptidase 1 (METAP1) [1].