LY404187   Click here for help

GtoPdb Ligand ID: 4249

Synonyms: LY 404187 | LY-404,187 | LY-404187
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel