PENECA

Ligand id: 378

Name: PENECA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 148.41
Molecular weight 408.15
XLogP 2.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Synonyms
2-phenylethynyl-NECA | 2-phenylethynylNECA
Database Links
ChEMBL Ligand CHEMBL223270
PubChem CID 9953255
Search Google for chemical match using the InChIKey SWXXHYTUMIMRFO-KSVNGYGVSA-N
Search Google for chemicals with the same backbone SWXXHYTUMIMRFO
Search UniChem for chemical match using the InChIKey SWXXHYTUMIMRFO-KSVNGYGVSA-N
Search UniChem for chemicals with the same backbone SWXXHYTUMIMRFO
Comments
There is some variation in the structure for this compound represented on other databases. The structure shown here is that represented in the references [2] and [1] and on ChEMBL.