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CHEBI:128104 - 3-[4-[(8S,9S,10S)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:128104
ChEBI Name3-[4-[(8S,9S,10S)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC29H30FN3O
Net Charge0
Average Mass455.577
Monoisotopic Mass455.23729
SMILESN#Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccccc5F)C[C@H]34)cc2)c1
InChIInChI=1S/C29H30FN3O/c30-26-9-2-1-7-25(26)18-32-14-3-4-15-33-27(19-32)29(28(33)20-34)23-12-10-22(11-13-23)24-8-5-6-21(16-24)17-31/h1-2,5-13,16,27-29,34H,3-4,14-15,18-20H2/t27-,28-,29+/m1/s1
InChIKeyVQSQQTWXMLMOML-NLDZOOGBSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8S,9S,10S)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:128104) is a biphenyls (CHEBI:22888)
3-[4-[(8S,9S,10S)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:128104) is a nitrile (CHEBI:18379)
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