[125I]AB-MECA

Ligand id: 436

Name: [125I]AB-MECA    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 160.44
Molecular weight 525.06
XLogP 0.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-5-[6-({[4-amino-3-(125I)iodophenyl]methyl}amino)-9H-purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Synonyms
[125I]-AB-MECA | [125I]5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-oxolane-2-carboxamide | [125I]N(6)-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide
Database Links
PubChem CID 73754993
Search Google for chemical match using the InChIKey LOGOEBMHHXYBID-WBKNRDRNSA-N
Search Google for chemicals with the same backbone LOGOEBMHHXYBID
Search UniChem for chemical match using the InChIKey LOGOEBMHHXYBID-WBKNRDRNSA-N
Search UniChem for chemicals with the same backbone LOGOEBMHHXYBID