EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231324 - alpelisib

Default Structure
ChEBI IDCHEBI:231324
ChEBI Namealpelisib
Stars
DefinitionAlpelisib is a phosphatidylinositol 3-kinase (PI3K) inhibitor with potent antitumor activity.
Submitterdelphine
DownloadsMolfile
FormulaC19H22F3N5O2S
Net Charge0
Average Mass441.479
Monoisotopic Mass441.14463
SMILESCc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)
InChIKeySTUWGJZDJHPWGZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpelisib (CHEBI:231324) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
(2S)-N1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-thiazolyl]pyrrolidine-1,2-dicarboxamideSUBMITTER
BYL-719SUBMITTER
BYL719SUBMITTER
Registry NumbersSources
CAS:1217486-61-7SUBMITTER