lumacaftor

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 36
Total Number of Articles : 153
PubChem 16678941
Molecular Formula

C24H18F2N2O5

SMILES

CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)

synonyms
  • Lumacaftor
  • 936727-05-8
  • VX-809
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Properties
Property Value
MW 452.4 g/mol
HBD 2
HBA 8
Rotatable Bond Count 5
Exact Mass 452.11837800 g/mol
Monoisotopic Mass 452.11837800 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 776
xlogp 4.4
Topological Polar Surface Area 97.8