(S)-FTY720-phosphate

Ligand id: 6996

Name: (S)-FTY720-phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 122.82
Molecular weight 387.22
XLogP 5.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Database Links
CAS Registry No. 402616-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL366208
PubChem CID 11452022
Search Google for chemical match using the InChIKey LRFKWQGGENFBFO-IBGZPJMESA-N
Search Google for chemicals with the same backbone LRFKWQGGENFBFO
Search UniChem for chemical match using the InChIKey LRFKWQGGENFBFO-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone LRFKWQGGENFBFO