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CHEBI:758134 - inupadenant hydrochloride

Default Structure
ChEBI IDCHEBI:758134
ChEBI Nameinupadenant hydrochloride
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaHCl.C25H26F2N8O4S2
Net Charge0
Average Mass641.126
Monoisotopic Mass640.12533
SMILESC[S@+]([O-])CCOc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F.Cl
InChIInChI=1S/C25H26F2N8O4S2.ClH/c1-41(37)12-11-39-19-14-17(15(26)13-16(19)27)33-7-4-32(5-8-33)6-9-34-22-20(40-25(34)36)23-29-21(18-3-2-10-38-18)31-35(23)24(28)30-22;/h2-3,10,13-14H,4-9,11-12H2,1H3,(H2,28,30);1H/t41-;/m0./s1
InChIKeyDDVRGKDOXQCEQN-YZNDQDBRSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
inupadenant hydrochloride (CHEBI:758134) has role antineoplastic agent (CHEBI:35610)
inupadenant hydrochloride (CHEBI:758134) is a piperazines (CHEBI:26144)
Synonyms  Source
EOS105000ChEMBL
EOS-105000 HYDROCHLORIDEChEMBL
EOS105000 HYDROCHLORIDEChEMBL
Inupadenant hydrochlorideChEMBL