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CHEBI:75919 - SZL-P1-41

ChEBI IDCHEBI:75919
ChEBI NameSZL-P1-41
Stars
DefinitionA chromone that is 3-(1,3-benzothiazol-2-yl)-8-(1-piperidinylmethyl)chromen-4-one bearing additional ethyl and hydroxy substituents at positions 6 and 7 respectively.
Last Modified15 July 2016
SubmitterSandra Orchard
DownloadsMolfile
FormulaC24H24N2O3S
Net Charge0
Average Mass420.534
Monoisotopic Mass420.15076
SMILESCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCCC2)c1O
InChIInChI=1S/C24H24N2O3S/c1-2-15-12-16-22(28)18(24-25-19-8-4-5-9-20(19)30-24)14-29-23(16)17(21(15)27)13-26-10-6-3-7-11-26/h4-5,8-9,12,14,27H,2-3,6-7,10-11,13H2,1H3
InChIKeyJKIXLEKBXHMXTN-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor  An enzyme inhibitor that interferes with the action of ubiquitin—protein ligase (EC 6.3.2.19).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SZL-P1-41 (CHEBI:75919) has role antineoplastic agent (CHEBI:35610)
SZL-P1-41 (CHEBI:75919) has role EC 6.3.2.19 (ubiquitin—protein ligase) inhibitor (CHEBI:75968)
SZL-P1-41 (CHEBI:75919) is a benzothiazoles (CHEBI:37947)
SZL-P1-41 (CHEBI:75919) is a chromones (CHEBI:23238)
SZL-P1-41 (CHEBI:75919) is a phenols (CHEBI:33853)
SZL-P1-41 (CHEBI:75919) is a piperidines (CHEBI:26151)
IUPAC Name 
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
Registry NumbersSources
Reaxys:8292462Reaxys
Citations