EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127208 - [(8R,9S,10R)-9-[4-(3-fluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:127208
ChEBI Name[(8R,9S,10R)-9-[4-(3-fluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
Stars
DownloadsMolfile
FormulaC28H31FN2O3S
Net Charge0
Average Mass494.632
Monoisotopic Mass494.20394
SMILESCc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1
InChIInChI=1S/C28H31FN2O3S/c1-20-7-2-3-10-27(20)35(33,34)30-15-4-5-16-31-25(18-30)28(26(31)19-32)22-13-11-21(12-14-22)23-8-6-9-24(29)17-23/h2-3,6-14,17,25-26,28,32H,4-5,15-16,18-19H2,1H3/t25-,26-,28-/m0/s1
InChIKeyDURNFEIZIYTKLU-NSVAZKTRSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8R,9S,10R)-9-[4-(3-fluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:127208) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38768LINCS