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CHEBI:125017 - 4-[4-[(1S,5R)-3-(4-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125017
ChEBI Name4-[4-[(1S,5R)-3-(4-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC24H20FN3O2S
Net Charge0
Average Mass433.508
Monoisotopic Mass433.12603
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C24H20FN3O2S/c25-20-9-11-21(12-10-20)31(29,30)28-14-22-24(23(15-28)27-22)19-7-5-18(6-8-19)17-3-1-16(13-26)2-4-17/h1-12,22-24,27H,14-15H2/t22-,23+,24?
InChIKeyCHBWTJVJUXMSDX-VSGJHWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-(4-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125017) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-(4-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125017) is a nitrile (CHEBI:18379)
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