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CHEBI:757679 - bay-1217389

Default Structure
ChEBI IDCHEBI:757679
ChEBI Namebay-1217389
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H24F5N5O3
Net Charge0
Average Mass561.511
Monoisotopic Mass561.17993
SMILESCOc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
InChIInChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
InChIKeyWNEILUNVMHVMPH-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bay-1217389 (CHEBI:757679) has role antineoplastic agent (CHEBI:35610)
bay-1217389 (CHEBI:757679) is a imidazoles (CHEBI:24780)
Synonym  Source
BAY-1217389ChEMBL
Citations