rose bengal (photoactivated)

Ligand id: 2393

Name: rose bengal (photoactivated)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 83.83
Molecular weight 971.5
XLogP 6.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
Database Links
BindingDB Ligand 50326902
CAS Registry No. 24545-87-7 (source: NCI), 74198-03-1 (source: NCI)
ChEMBL Ligand CHEMBL1208422
PubChem CID 25474
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