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Concept information

Preferred term

lumacaftor  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C24H18F2N2O5

has_role

  • CHEBI:66902
  • CHEBI:71031

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)

inchikey

  • UFSKUSARDNFIRC-UHFFFAOYSA-N

mass

  • 452.408

monoisotopicmass

  • 452.11838

smiles

  • C1(C(NC2=CC=C(C(=N2)C3=CC(=CC=C3)C(O)=O)C)=O)(C4=CC5=C(C=C4)OC(O5)(F)F)CC1

subset

  • 3_STAR

synonym EXACT

  • 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90951

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