rilapladib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 4
PubChem 9918381
Molecular Formula

C40H38F5N3O3S

SMILES

COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F

InChI

InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3

synonyms
  • Rilapladib
  • 412950-08-4
  • Rilapladib (USAN)
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Properties
Property Value
MW 735.8 g/mol
HBD 0
HBA 11
Rotatable Bond Count 12
Exact Mass 735.25540407 g/mol
Monoisotopic Mass 735.25540407 g/mol
Heavy Atom Count 52
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1200
xlogp 8.1
Topological Polar Surface Area 78.4