CHEBI:131123 - [(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

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ChEBI Name [(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
ChEBI ID CHEBI:131123
Stars This entity has been manually annotated by a third party.
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Formula C23H31F3N2O
Net Charge 0
Average Mass 408.501
Monoisotopic Mass 408.23885
InChI InChI=1S/C23H31F3N2O/c24-23(25,26)11-14-27-12-3-4-13-28-20(15-27)22(21(28)16-29)19-9-7-18(8-10-19)17-5-1-2-6-17/h5,7-10,20-22,29H,1-4,6,11-16H2/t20-,21+,22-/m1/s1
InChIKey IBZUTKZKACVZJU-BHIFYINESA-N
SMILES C1CCN2[C@H](CN(C1)CCC(F)(F)F)[C@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CCCC4
ChEBI Ontology
Outgoing [(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:131123) is a azetidines (CHEBI:38777)
[(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:131123) is a benzenes (CHEBI:22712)
[(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:131123) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42671 LINCS
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