EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122467 - 4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide

ChEBI IDCHEBI:122467
ChEBI Name4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
Stars
DownloadsMolfile
FormulaC22H24FN3O4
Net Charge0
Average Mass413.449
Monoisotopic Mass413.17508
SMILESO=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1
InChIInChI=1S/C22H24FN3O4/c23-17-3-1-16(2-4-17)22(29)26-19-6-5-18(30-20(19)14-27)13-21(28)25-12-9-15-7-10-24-11-8-15/h1-8,10-11,18-20,27H,9,12-14H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1
InChIKeyPELUPFPZEXCELD-UFYCRDLUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide (CHEBI:122467) is a carbonyl compound (CHEBI:36586)
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide (CHEBI:122467) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-33910LINCS