S 16924   Click here for help

GtoPdb Ligand ID: 167

Synonyms: S-16924
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 48
Molecular weight 385.17
XLogP 3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2
Isomeric SMILES Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2
InChI InChI=1S/C22H24FNO4/c23-18-6-4-17(5-7-18)19(25)14-16-8-9-24(15-16)10-11-26-20-2-1-3-21-22(20)28-13-12-27-21/h1-7,16H,8-15H2
InChI Key DXBFVLGYPFUTEZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-8-yloxy)ethyl]pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
Synonyms Click here for help
S-16924
Database Links Click here for help
GtoPdb PubChem SID 135650961
PubChem CID 9821498
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