A192621

Ligand id: 1009

Name: A192621

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 97.33
Molecular weight 558.27
XLogP 6.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
Synonyms
A 192621 | A-192621
Database Links
BindingDB Ligand 50080601
CAS Registry No. 195529-54-5 (source: Scifinder)
ChEMBL Ligand CHEMBL332794
PubChem CID 5310991
Search Google for chemical match using the InChIKey LQEHCKYYIXQEBM-FUKIBTTHSA-N
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Search UniChem for chemical match using the InChIKey LQEHCKYYIXQEBM-FUKIBTTHSA-N
Search UniChem for chemicals with the same backbone LQEHCKYYIXQEBM