EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125139 - 1-[(1S,5R)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone

ChEBI IDCHEBI:125139
ChEBI Name1-[(1S,5R)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone
Stars
DownloadsMolfile
FormulaC24H22FN3O
Net Charge0
Average Mass387.458
Monoisotopic Mass387.17469
SMILESO=C(Cc1ccncc1)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c25-20-7-5-18(6-8-20)17-1-3-19(4-2-17)24-21-14-28(15-22(24)27-21)23(29)13-16-9-11-26-12-10-16/h1-12,21-22,24,27H,13-15H2/t21-,22+,24?
InChIKeyTZFNMUJHHAXWOB-RIKCKFAHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,5R)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone (CHEBI:125139) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36601LINCS