EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125012 - (1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125012
ChEBI Name(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane
Stars
DownloadsMolfile
FormulaC21H21FN4O2S
Net Charge0
Average Mass412.490
Monoisotopic Mass412.13693
SMILESCn1cnc(S(=O)(=O)N2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccccc3F)cc2)c1
InChIInChI=1S/C21H21FN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18-21(19(11-26)24-18)15-8-6-14(7-9-15)16-4-2-3-5-17(16)22/h2-9,12-13,18-19,21,24H,10-11H2,1H3/t18-,19+,21?
InChIKeyGMNZGGJWOJJWDN-PMSBKCLSSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125012) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36474LINCS