EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:757115 - olacaftor

Default Structure
ChEBI IDCHEBI:757115
ChEBI Nameolacaftor
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H34FN3O4S
Net Charge0
Average Mass539.673
Monoisotopic Mass539.22541
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)c1
InChIInChI=1S/C29H34FN3O4S/c1-19(2)18-37-23-14-21(13-22(30)15-23)26-12-11-25(27(31-26)33-17-20(3)16-29(33,4)5)28(34)32-38(35,36)24-9-7-6-8-10-24/h6-15,19-20H,16-18H2,1-5H3,(H,32,34)/t20-/m0/s1
InChIKeyNHOUNZMCSIHKHJ-FQEVSTJZSA-N
ChEBI Ontology
Outgoing Relation(s)
olacaftor (CHEBI:757115) is a sulfonamide (CHEBI:35358)
INN  Source
olacaftorWHO MedNet
Synonym  Source
VX-440ChEMBL