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CHEBI:748319 - lupitidine

Default Structure
ChEBI IDCHEBI:748319
ChEBI Namelupitidine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H27N5O2S
Net Charge0
Average Mass413.547
Monoisotopic Mass413.18855
SMILESCc1ccc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)nc2=O)cn1
InChIInChI=1S/C21H27N5O2S/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27)
InChIKeyIKEHSFKMCULMKJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lupitidine (CHEBI:748319) is a chloropyridine (CHEBI:39173)
INNs  Source
lupitidinaWHO MedNet
lupitidineWHO MedNet
Synonym  Source
CM-10ChEMBL
Citations