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CHEBI:129777 - 3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:129777
ChEBI Name3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC29H30N4O2
Net Charge0
Average Mass466.585
Monoisotopic Mass466.23688
SMILESN#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1
InChIInChI=1S/C29H30N4O2/c30-18-22-4-3-5-25(16-22)23-6-8-24(9-7-23)29-26-19-32(14-1-2-15-33(26)27(29)20-34)28(35)17-21-10-12-31-13-11-21/h3-13,16,26-27,29,34H,1-2,14-15,17,19-20H2/t26-,27-,29+/m0/s1
InChIKeyDPTKBUJKCZTPNA-HPUNYJORSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129777) is a biphenyls (CHEBI:22888)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129777) is a nitrile (CHEBI:18379)
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