Seladelpar

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 6
PubChem 11236126
Molecular Formula

C21H23F3O5S

SMILES

CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C

InChI

InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1

synonyms
  • Seladelpar
  • 851528-79-5
  • MBX-8025
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Properties
Property Value
MW 444.5 g/mol
HBD 1
HBA 9
Rotatable Bond Count 11
Exact Mass 444.12182949 g/mol
Monoisotopic Mass 444.12182949 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 511
xlogp 5.2
Topological Polar Surface Area 90.3