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CHEBI:758593 - rupitasertib

Default Structure
ChEBI IDCHEBI:758593
ChEBI Namerupitasertib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H19ClF3N5O
Net Charge0
Average Mass449.864
Monoisotopic Mass449.12302
SMILESNC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12
InChIInChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1
InChIKeyHXAUJHZZPCBFPN-QGZVFWFLSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rupitasertib (CHEBI:758593) has role antineoplastic agent (CHEBI:35610)
rupitasertib (CHEBI:758593) is a quinazolines (CHEBI:38530)
INN  Source
rupitasertibWHO MedNet
Synonyms  Source
M-2698ChEMBL
M2698ChEMBL
MSC-2363318AChEMBL
MSC2363318AChEMBL
Citations