EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127019 - 1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone

ChEBI IDCHEBI:127019
ChEBI Name1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
Stars
DownloadsMolfile
FormulaC22H23FN2O4S
Net Charge0
Average Mass430.501
Monoisotopic Mass430.13626
SMILESO=C(CC1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21
InChIInChI=1S/C22H23FN2O4S/c23-16-6-2-4-8-20(16)30(28,29)24-12-18-22(15-5-1-3-7-17(15)24)19(13-26)25(18)21(27)11-14-9-10-14/h1-8,14,18-19,22,26H,9-13H2/t18-,19-,22+/m0/s1
InChIKeyZYQPXGZEYFFOJA-CNNODRBYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone (CHEBI:127019) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-38582LINCS