PSB-0739

Ligand id: 5904

Name: PSB-0739

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 187.72
Molecular weight 609.03
XLogP 5.23
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
sodium 1-amino-9,10-dioxo-4-{[4-(phenylamino)-3-[(sodiooxy)sulfonyl]phenyl]amino}-9,10-dihydroanthracene-2-sulfonate
Synonyms
PSB 0739
Database Links
CAS Registry No. 1052087-90-7 (source: Scifinder)
ChEMBL Ligand CHEMBL455536
PubChem CID 59448166
Search Google for chemical match using the InChIKey QBLLYXXXOJUNCV-UHFFFAOYSA-L
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Search UniChem for chemical match using the InChIKey QBLLYXXXOJUNCV-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone QBLLYXXXOJUNCV