HEMADO

Ligand id: 5599

Name: HEMADO

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 125.55
Molecular weight 361.18
XLogP 1.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-(2-hex-1-ynyl-6-methylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Database Links
CAS Registry No. 403842-38-6 (source: Scifinder)
ChEMBL Ligand CHEMBL260563
PubChem CID 10981286
Search Google for chemical match using the InChIKey KOCIMZNSNPOGOP-IWCJZZDYSA-N
Search Google for chemicals with the same backbone KOCIMZNSNPOGOP
Search UniChem for chemical match using the InChIKey KOCIMZNSNPOGOP-IWCJZZDYSA-N
Search UniChem for chemicals with the same backbone KOCIMZNSNPOGOP