PD159790

Ligand id: 8617

Name: PD159790

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 41.05
Molecular weight 450.05
XLogP 4.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quinazolin-4-amine
Synonyms
PD-159790
Comments
ECE-1 selective inhibitor [2]
Database Links
CAS Registry No. 179598-53-9 (source: PubChem)
GtoPdb PubChem SID 252166818
PubChem CID 9889954
Search Google for chemical match using the InChIKey IRWWFCJIOHCTMV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IRWWFCJIOHCTMV
Search UniChem for chemical match using the InChIKey IRWWFCJIOHCTMV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IRWWFCJIOHCTMV