CHEBI:128277 - [(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
ChEBI ID CHEBI:128277
Stars This entity has been manually annotated by a third party.
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Formula C25H30N2O2
Net Charge 0
Average Mass 390.519
Monoisotopic Mass 390.23073
InChI InChI=1S/C25H30N2O2/c1-26-15-3-4-16-27-23(17-26)25(24(27)18-28)21-11-7-19(8-12-21)5-6-20-9-13-22(29-2)14-10-20/h7-14,23-25,28H,3-4,15-18H2,1-2H3/t23-,24-,25-/m0/s1
InChIKey WJPROCFBRYRJTF-SDHOMARFSA-N
SMILES CN1CCCCN2[C@@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing [(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128277) is a azetidines (CHEBI:38777)
[(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128277) is a benzenes (CHEBI:22712)
[(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128277) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39832 LINCS
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