LY503430   

GtoPdb Ligand ID: 4251

Synonyms: LY 503430 | LY-503,430 | LY-503430
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 83.65
Molecular weight 392.16
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC(=O)c1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)(F)C
Isomeric SMILES CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C
InChI InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1
InChI Key MFJKNXILEXBWNQ-FQEVSTJZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
Synonyms
LY 503430 | LY-503,430 | LY-503430
Database Links
GtoPdb PubChem SID 178101068
PubChem CID 9952446
Search Google for chemical match using the InChIKey MFJKNXILEXBWNQ-FQEVSTJZSA-N
Search Google for chemicals with the same backbone MFJKNXILEXBWNQ
Search UniChem for chemical match using the InChIKey MFJKNXILEXBWNQ-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone MFJKNXILEXBWNQ
Wikipedia LY-503,430