LY404187   

GtoPdb Ligand ID: 4249

Synonyms: LY 404187 | LY-404,187 | LY-404187
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 78.34
Molecular weight 342.14
XLogP 3.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C
Isomeric SMILES N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C
InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
InChI Key HOQAVGZLYRYHSO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-{2-[4-(4-cyanophenyl)phenyl]propyl}propane-2-sulfonamide
Synonyms
LY 404187 | LY-404,187 | LY-404187
Database Links
CAS Registry No. 211311-95-4 (source: Scifinder)
ChEMBL Ligand CHEMBL435582
GtoPdb PubChem SID 178101066
PubChem CID 9928016
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Wikipedia LY-404,187

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LY 404187
Cat. No. 5297