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CHEBI:751577 - navitoclax dihydrochloride

Default Structure
ChEBI IDCHEBI:751577
ChEBI Namenavitoclax dihydrochloride
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaHCl.C47H55ClF3N5O6S3.HCl
Net Charge0
Average Mass1047.556
Monoisotopic Mass1045.24887
SMILESCC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1.Cl.Cl
InChIInChI=1S/C47H55ClF3N5O6S3.2ClH/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40;;/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57);2*1H/t38-;;/m1../s1
InChIKeyWDVGRPCSLPVWKC-VROLVAQFSA-N
ChEBI Ontology
Outgoing Relation(s)
navitoclax dihydrochloride (CHEBI:751577) is a piperazines (CHEBI:26144)
Synonyms  Source
A-855071.3ChEMBL
Navitoclax dihydrochlorideChEMBL