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CHEBI:755701 - elismetrep

Default Structure
ChEBI IDCHEBI:755701
ChEBI Nameelismetrep
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H21F3N2O5S
Net Charge0
Average Mass542.535
Monoisotopic Mass542.11233
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1
InChIInChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
InChIKeyCWEFDWIKLABKBX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
elismetrep (CHEBI:755701) is a isoquinolines (CHEBI:24922)
INN  Source
elismetrepWHO MedNet
Synonym  Source
MT-8554ChEMBL