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CHEBI:757578 - tropifexor

Default Structure
ChEBI IDCHEBI:757578
ChEBI Nametropifexor
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H25F4N3O5S
Net Charge0
Average Mass603.594
Monoisotopic Mass603.14510
SMILES[H][C@]12CC[C@]([H])(C[C@H](OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)C1)N2c1nc2c(F)cc(C(=O)O)cc2s1
InChIInChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+
InChIKeyVYLOOGHLKSNNEK-PIIMJCKOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tropifexor (CHEBI:757578) is a tropane alkaloid (CHEBI:37332)
INN  Source
tropifexorWHO MedNet
Synonyms  Source
LJN-452ChEMBL
LJN452ChEMBL
NVP-LJN452-NXAChEMBL
Citations