GSK9772   Click here for help

GtoPdb Ligand ID: 8693

Synonyms: GSK 9772 | GSK-9772
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 2
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 43.7
Molecular weight 489.07
XLogP 7.96
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O
Isomeric SMILES CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O
InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
InChI Key TYYLMKBOWXDDCT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino]methyl]-2,6-dichlorophenol
Synonyms Click here for help
GSK 9772 | GSK-9772
Database Links Click here for help
CAS Registry No. 928035-84-1 (source: Scifinder)
ChEMBL Ligand CHEMBL493241
GtoPdb PubChem SID 252166893
PubChem CID 16049480
Search Google for chemical match using the InChIKey TYYLMKBOWXDDCT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TYYLMKBOWXDDCT
Search UniChem for chemical match using the InChIKey TYYLMKBOWXDDCT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TYYLMKBOWXDDCT