TA-8995

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 7
PubChem 11498596
Molecular Formula

C32H31F9N4O5

SMILES

CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O

InChI

InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1

synonyms
  • Obicetrapib
  • 866399-87-3
  • TA-8995
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Properties
Property Value
MW 722.6 g/mol
HBD 1
HBA 17
Rotatable Bond Count 12
Exact Mass 722.21507356 g/mol
Monoisotopic Mass 722.21507356 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1100
xlogp 7.4
Topological Polar Surface Area 105