compound 3u [PMID: 2231594]

Ligand id: 2976

Name: compound 3u [PMID: 2231594]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 104.64
Molecular weight 456.15
XLogP 6.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-4-{[(E)-2-[3'-(4-fluorophenyl)spiro[cyclopentane-1,1'-indene]-2'-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid
Database Links
ChEMBL Ligand CHEMBL329989
PubChem CID 44331800
Search Google for chemical match using the InChIKey AOSODOHQJJPEAM-VUVZNRFTSA-N
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Search UniChem for chemical match using the InChIKey AOSODOHQJJPEAM-VUVZNRFTSA-N
Search UniChem for chemicals with the same backbone AOSODOHQJJPEAM