fluparoxan   Click here for help

GtoPdb Ligand ID: 41

Synonyms: GR-50,360
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 30.49
Molecular weight 195.07
XLogP 1.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cccc2c1OC1CNCC1O2
Isomeric SMILES Fc1cccc2c1O[C@H]1CNC[C@@H]1O2
InChI InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1
InChI Key XSOUHEXVEOQRKJ-IUCAKERBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3aS,9aS)-8-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
International Nonproprietary Names Click here for help
INN number INN
6217 fluparoxan
Synonyms Click here for help
GR-50,360
Database Links Click here for help
CAS Registry No. 105182-45-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1765294
GtoPdb PubChem SID 135650272
PubChem CID 72036
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Wikipedia Fluparoxan