EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97252 - 1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(2-fluorophenyl)urea

ChEBI IDCHEBI:97252
ChEBI Name1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(2-fluorophenyl)urea
Stars
DownloadsMolfile
FormulaC25H28FN3O6
Net Charge0
Average Mass485.512
Monoisotopic Mass485.19621
SMILESO=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2)Nc1ccccc1F
InChIInChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18-,22+,24+/m1/s1
InChIKeyRREKHFLFIWGNNG-SDZNXMPUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(2-fluorophenyl)urea (CHEBI:97252) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-8631LINCS