I-ABOPX

Ligand id: 446

Name: I-ABOPX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 141.85
Molecular weight 575.07
XLogP 3.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
Synonyms
BW-A522
Database Links
CAS Registry No. 112533-64-9 (source: Scifinder)
ChEMBL Ligand CHEMBL355370
PubChem CID 163889
Search Google for chemical match using the InChIKey DKJMGIXWGPEEFF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DKJMGIXWGPEEFF
Search UniChem for chemical match using the InChIKey DKJMGIXWGPEEFF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DKJMGIXWGPEEFF