WIN35428

Ligand id: 4606

Name: WIN35428

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 29.54
Molecular weight 277.15
XLogP 3.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Synonyms
β-CFT | 2β-carboxymethy-3β-(4-fluorophenyl)tropane  | WIN 35,428 | WIN 35428
Database Links
CAS Registry No. 50370-56-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1944829
PubChem CID 105056
RCSB PDB Ligand 42L
Search Google for chemical match using the InChIKey QUSLQENMLDRCTO-YJNKXOJESA-N
Search Google for chemicals with the same backbone QUSLQENMLDRCTO
Search UniChem for chemical match using the InChIKey QUSLQENMLDRCTO-YJNKXOJESA-N
Search UniChem for chemicals with the same backbone QUSLQENMLDRCTO
Wikipedia WIN_35428