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CHEBI:125116 - (1S,5R)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

ChEBI IDCHEBI:125116
ChEBI Name(1S,5R)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
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FormulaC25H24FN3O2
Net Charge0
Average Mass417.484
Monoisotopic Mass417.18526
SMILESCOc1cccc(-c2ccc(C3[C@@H]4CN(C(=O)Nc5ccccc5F)C[C@H]3N4)cc2)c1
InChIInChI=1S/C25H24FN3O2/c1-31-19-6-4-5-18(13-19)16-9-11-17(12-10-16)24-22-14-29(15-23(24)27-22)25(30)28-21-8-3-2-7-20(21)26/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24?
InChIKeyPDIHLXLTWKYKAJ-VSGJHWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125116) is a piperidines (CHEBI:26151)
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LSM-36578LINCS