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CHEBI:231357 - PF-04691502

Default Structure
ChEBI IDCHEBI:231357
ChEBI NamePF-04691502
Stars
DefinitionPI3K/mTOR Kinase Inhibitor PF-04691502 is an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity.
Submitterdelphine
DownloadsMolfile
FormulaC22H27N5O4
Net Charge0
Average Mass425.489
Monoisotopic Mass425.20630
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1
InChIInChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)
InChIKeyXDLYKKIQACFMJG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
PF-04691502 (CHEBI:231357) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-amino-8-((1r,4r)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Synonyms  Source
PF 04691502SUBMITTER
PF04691502SUBMITTER
PF-4691502SUBMITTER
Registry NumbersSources
CAS:1013101-36-4SUBMITTER