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CHEBI:230484 - StemRegenin 1

Default Structure
ChEBI IDCHEBI:230484
ChEBI NameStemRegenin 1
Stars
DefinitionInhibitor of the aryl hydrocarbon receptor
Submitterdelphine
DownloadsMolfile
FormulaC24H23N5OS
Net Charge0
Average Mass429.549
Monoisotopic Mass429.16233
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21
InChIInChI=1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)
InChIKeyBGFHMYJZJZLMHW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
StemRegenin 1 (CHEBI:230484) is a organic molecular entity (CHEBI:50860)
Synonym  Source
SR1SUBMITTER
Registry NumbersSources
CAS:1227633-49-9SUBMITTER