IAA-94

Ligand id: 4217

Name: IAA-94

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 63.6
Molecular weight 356.06
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
Synonyms
indanyloxyacetic acid 94 | MK-473
Database Links
CAS Registry No. 53108-00-2 (source: Scifinder)
ChEMBL Ligand CHEMBL79956
PubChem CID 3667
Search Google for chemical match using the InChIKey RNOJGTHBMJBOSP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RNOJGTHBMJBOSP
Search UniChem for chemical match using the InChIKey RNOJGTHBMJBOSP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RNOJGTHBMJBOSP