EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124941 - [(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:124941
ChEBI Name[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
DownloadsMolfile
FormulaC27H25FN2O3S
Net Charge0
Average Mass476.573
Monoisotopic Mass476.15699
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccc(F)cc5)cc4[C@@H]32)cc1
InChIInChI=1S/C27H25FN2O3S/c1-18-2-11-22(12-3-18)34(32,33)30-15-14-23-26(17-31)29-25-13-8-20(16-24(25)27(23)30)5-4-19-6-9-21(28)10-7-19/h2-3,6-13,16,23,26-27,29,31H,14-15,17H2,1H3/t23-,26+,27-/m1/s1
InChIKeyZFXNPHKQAQZOJC-DURWQBQJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:124941) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-36400LINCS