LY392098   

GtoPdb Ligand ID: 4248

Synonyms: LY 392098 | LY-392098
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.55
Molecular weight 335.14
XLogP 4.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C
Isomeric SMILES CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C
InChI InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3
InChI Key CECANHFDVPUVMI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-{2-[4-(2-fluorophenyl)phenyl]propyl}propane-2-sulfonamide
Synonyms
LY 392098 | LY-392098
Database Links
ChEMBL Ligand CHEMBL341748
GtoPdb PubChem SID 178101065
PubChem CID 9927707
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