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CHEBI:759161 - boditrectinib

Default Structure
ChEBI IDCHEBI:759161
ChEBI Nameboditrectinib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H24F2N6O
Net Charge0
Average Mass438.482
Monoisotopic Mass438.19797
SMILESO=C(/C=C/c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CCNCC1
InChIInChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1
InChIKeyBQFYCHBYISNPFW-SQZHUTIHSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
boditrectinib (CHEBI:759161) has role antineoplastic agent (CHEBI:35610)
boditrectinib (CHEBI:759161) is a pyrrolidines (CHEBI:38260)
INN  Source
boditrectinibWHO MedNet
Synonyms  Source
AUM-601ChEMBL
AUM601ChEMBL
CHC-2014ChEMBL
CHC2014ChEMBL
HL-5101ChEMBL
HL5101ChEMBL