AB-NECA

Ligand id: 434

Name: AB-NECA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 9
Topological polar surface area 183.75
Molecular weight 457.17
XLogP 0.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N'-[6-anilino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-ethyloxamide
Synonyms
aminobenzyl-5'-N-ethylcarboxamidoadenosine
Database Links
PubChem CID 57340157
Search Google for chemical match using the InChIKey ZLZSAUQLHYWSOL-HLFSEMCJSA-N
Search Google for chemicals with the same backbone ZLZSAUQLHYWSOL
Search UniChem for chemical match using the InChIKey ZLZSAUQLHYWSOL-HLFSEMCJSA-N
Search UniChem for chemicals with the same backbone ZLZSAUQLHYWSOL