siponimod (Mayzent) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

516.595

ALogP

6.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCC1=C(CN2CC(C2)C(O)=O)C=CC(=C1)C(\C)=N\OCC3=CC(=C(C=C3)C4CCCCC4)C(F)(F)F
  • InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N
    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+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2336071   ChEMBL
siponimod

RR6P8L282I   NCATS
siponimod *

Siponimod   Wikipedia

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