2-hexynyl-NECA

Ligand id: 373

Name: 2-hexynyl-NECA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 148.41
Molecular weight 388.19
XLogP 1.41
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-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Synonyms
adenosine-5'-N-ethyluronamide | HE-NECA | HENECA | NECA
Database Links
CAS Registry No. 141018-30-6 (source: Scifinder)
ChEMBL Ligand CHEMBL410873
PubChem CID 164437
Search Google for chemical match using the InChIKey FDEACFAXFCKCHZ-MOROJQBDSA-N
Search Google for chemicals with the same backbone FDEACFAXFCKCHZ
Search UniChem for chemical match using the InChIKey FDEACFAXFCKCHZ-MOROJQBDSA-N
Search UniChem for chemicals with the same backbone FDEACFAXFCKCHZ