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
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.
Database Links
ChEMBL Ligand CHEMBL223270
GtoPdb PubChem SID 135650805
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