CHEBI:230484 - StemRegenin 1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name StemRegenin 1
ChEBI ID CHEBI:230484
Definition Inhibitor of the aryl hydrocarbon receptor
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C24H23N5OS
Net Charge 0
Average Mass 429.540
Monoisotopic Mass 429.16233
InChI InChI=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)
InChIKey BGFHMYJZJZLMHW-UHFFFAOYSA-N
SMILES CC(C)N1C=NC2=C(NCCC3=CC=C(C=C3)O)N=C(C4=CSC5=CC=CC=C45)N=C21
ChEBI Ontology
Outgoing StemRegenin 1 (CHEBI:230484) is a organic molecular entity (CHEBI:50860)
Synonym Source
SR1 SUBMITTER
Registry Number Type Source
1227633-49-9 CAS Registry Number SUBMITTER