SB-219994

Ligand id: 2697

Name: SB-219994

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 85.03
Molecular weight 438.14
XLogP 4.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-[4-[2-(1,3-benzoxazol-2-yl-methylamino)ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid
Synonyms
SB 219994 | SB219994
Database Links
CAS Registry No. 177785-17-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1946409
PubChem CID 9845965
Search Google for chemical match using the InChIKey IRAAJHYKQDFNFO-SFHVURJKSA-N
Search Google for chemicals with the same backbone IRAAJHYKQDFNFO
Search UniChem for chemical match using the InChIKey IRAAJHYKQDFNFO-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone IRAAJHYKQDFNFO