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CHEBI:754846 - tak-441

Default Structure
ChEBI IDCHEBI:754846
ChEBI Nametak-441
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H31F3N4O6
Net Charge0
Average Mass576.572
Monoisotopic Mass576.21957
SMILESCCc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
InChIKeyZADWXQMNNVICKB-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tak-441 (CHEBI:754846) has role antineoplastic agent (CHEBI:35610)
tak-441 (CHEBI:754846) is a aromatic ketone (CHEBI:76224)
Synonym  Source
Tak-441ChEMBL
Citations