siponimod

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 30
Total Number of Articles : 33
PubChem 44599207
Molecular Formula

C29H35F3N2O3

SMILES

CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O

InChI

InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+

synonyms
  • Siponimod
  • 1230487-00-9
  • BAF-312
Click to show/hide the synonyms
Properties
Property Value
MW 516.6 g/mol
HBD 1
HBA 8
Rotatable Bond Count 9
Exact Mass 516.25997747 g/mol
Monoisotopic Mass 516.25997747 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 777
xlogp 4.8
Topological Polar Surface Area 62.1