SSR128129E

Ligand id: 7850

Name: SSR128129E

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 94.03
Molecular weight 324.11
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid
Synonyms
SSR
Database Links
CAS Registry No. 848463-13-8 (source: Scifinder)
PubChem CID 11347895
RCSB PDB Ligand SSF
Search Google for chemical match using the InChIKey SNMCWIDCSPHZRD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SNMCWIDCSPHZRD
Search UniChem for chemical match using the InChIKey SNMCWIDCSPHZRD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SNMCWIDCSPHZRD
Comments
SSR128129E is commonly used as the sodium salt (PubChem CID 68853159, CAS number 848318-25-2) and any bioactivity data likely relates to this salt form.