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CHEBI:749896 - tak-285

Default Structure
ChEBI IDCHEBI:749896
ChEBI Nametak-285
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H25ClF3N5O3
Net Charge0
Average Mass547.965
Monoisotopic Mass547.15980
SMILESCC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21
InChIInChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
InChIKeyZYQXEVJIFYIBHZ-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tak-285 (CHEBI:749896) has role antineoplastic agent (CHEBI:35610)
tak-285 (CHEBI:749896) is a aromatic ether (CHEBI:35618)
Synonyms  Source
Tak 285ChEMBL
Tak-285ChEMBL
Tak285ChEMBL
Citations