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CHEBI:130937 - 3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:130937
ChEBI Name3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC23H27N3O3S
Net Charge0
Average Mass425.554
Monoisotopic Mass425.17731
SMILESCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1
InChIInChI=1S/C23H27N3O3S/c1-30(28,29)25-11-2-3-12-26-21(15-25)23(22(26)16-27)19-9-7-18(8-10-19)20-6-4-5-17(13-20)14-24/h4-10,13,21-23,27H,2-3,11-12,15-16H2,1H3/t21-,22-,23+/m0/s1
InChIKeyQHKPGYUJIRFXOU-RJGXRXQPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:130937) is a biphenyls (CHEBI:22888)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:130937) is a nitrile (CHEBI:18379)
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