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CHEBI:129942 - (8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:129942
ChEBI Name(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC30H32N4O3
Net Charge0
Average Mass496.611
Monoisotopic Mass496.24744
SMILESCOc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-26-15-13-25(14-16-26)32-30(36)33-18-4-5-19-34-27(20-33)29(28(34)21-35)23-10-7-22(8-11-23)9-12-24-6-2-3-17-31-24/h2-3,6-8,10-11,13-17,27-29,35H,4-5,18-21H2,1H3,(H,32,36)/t27-,28-,29+/m0/s1
InChIKeyJZVJKTROXVJFEH-YTCPBCGMSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129942) is a azetidines (CHEBI:38777)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129942) is a benzenes (CHEBI:22712)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129942) is a ring assembly (CHEBI:36820)
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