TAK-875

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 27
Total Number of Articles : 39
PubChem 24857286
Molecular Formula

C29H32O7S

SMILES

CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCCCS(=O)(=O)C

InChI

InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1

synonyms
  • Fasiglifam
  • TAK-875
  • 1000413-72-8
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Properties
Property Value
MW 524.6 g/mol
HBD 1
HBA 7
Rotatable Bond Count 11
Exact Mass 524.18687453 g/mol
Monoisotopic Mass 524.18687453 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 828
xlogp 4.7
Topological Polar Surface Area 108