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CHEBI:759240 - rocbrutinib

Default Structure
ChEBI IDCHEBI:759240
ChEBI Namerocbrutinib
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC42H51N9O5
Net Charge0
Average Mass761.928
Monoisotopic Mass761.40132
SMILESC=CC(=O)Nc1cc(Nc2nc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)ccc1N1CCN(C2CCOCC2)C[C@@H]1C
InChIInChI=1S/C42H51N9O5/c1-6-37(53)45-32-20-28(7-8-34(32)49-14-13-48(23-26(49)2)29-10-17-56-18-11-29)44-38-41(55)47(5)24-33(46-38)30-9-12-43-39(31(30)25-52)51-16-15-50-35(40(51)54)19-27-21-42(3,4)22-36(27)50/h6-9,12,19-20,24,26,29,52H,1,10-11,13-18,21-23,25H2,2-5H3,(H,44,46)(H,45,53)/t26-/m0/s1
InChIKeyOYJVFTNYBWVQHA-SANMLTNESA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rocbrutinib (CHEBI:759240) has role antineoplastic agent (CHEBI:35610)
rocbrutinib (CHEBI:759240) is a piperazines (CHEBI:26144)
INN  Source
rocbrutinibWHO MedNet