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CHEBI:231619 - IACS-10759 Hydrochloride

Default Structure
ChEBI IDCHEBI:231619
ChEBI NameIACS-10759 Hydrochloride
Stars
DefinitionIACS-10759 Hydrochloride is an inhibitor of mitochondrial complex I of oxidative phosphorylation (OXPHOS), contributing to programmed cell death for acute myeloid leukemia and brain cancers that require OXPHOS.
Submitteramillett1
DownloadsMolfile
FormulaC25H25F3N6O4S.HCl
Net Charge0
Average Mass599.035
Monoisotopic Mass598.13769
SMILESCc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1.Cl
InChIInChI=1S/C25H25F3N6O4S.ClH/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36;/h3-9,14,21H,10-13,15H2,1-2H3;1H
InChIKeyLUSCFOVOISLXTM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
IACS-10759 Hydrochloride (CHEBI:231619) is a organic molecular entity (CHEBI:50860)
Synonym  Source
5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole hydrochlorideSUBMITTER
Registry NumbersSources
CAS:1807523-99-4SUBMITTER