CHEBI:125746 - [(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

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ChEBI Name [(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
ChEBI ID CHEBI:125746
Stars This entity has been manually annotated by a third party.
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Formula C21H26BrN3O
Net Charge 0
Average Mass 416.355
Monoisotopic Mass 415.12592
InChI InChI=1S/C21H26BrN3O/c22-17-8-6-16(7-9-17)21-19-14-24(13-18-5-1-2-10-23-18)11-3-4-12-25(19)20(21)15-26/h1-2,5-10,19-21,26H,3-4,11-15H2/t19-,20+,21-/m1/s1
InChIKey HJWSQNVGAXLPTC-QHAWAJNXSA-N
SMILES C1CCN2[C@H](CN(C1)CC3=CC=CC=N3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)Br
ChEBI Ontology
Outgoing [(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:125746) is a azetidines (CHEBI:38777)
[(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:125746) is a benzenes (CHEBI:22712)
[(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:125746) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37315 LINCS
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