CHEBI:130663 - (8S,9S,10R)-9-[4-(1-cyclohexenyl)phenyl]-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

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ChEBI Name (8S,9S,10R)-9-[4-(1-cyclohexenyl)phenyl]-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
ChEBI ID CHEBI:130663
Stars This entity has been manually annotated by a third party.
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Formula C28H33F2N3O2
Net Charge 0
Average Mass 481.578
Monoisotopic Mass 481.25408
InChI InChI=1S/C28H33F2N3O2/c29-22-12-13-23(30)24(16-22)31-28(35)32-14-4-5-15-33-25(17-32)27(26(33)18-34)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h6,8-13,16,25-27,34H,1-5,7,14-15,17-18H2,(H,31,35)/t25-,26+,27+/m1/s1
InChIKey DACSJOGQFLXGFJ-PVHODMMVSA-N
SMILES C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@H]3CO)C(=O)NC5=C(C=CC(=C5)F)F
ChEBI Ontology
Outgoing (8S,9S,10R)-9-[4-(1-cyclohexenyl)phenyl]-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130663) is a azetidines (CHEBI:38777)
(8S,9S,10R)-9-[4-(1-cyclohexenyl)phenyl]-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130663) is a benzenes (CHEBI:22712)
(8S,9S,10R)-9-[4-(1-cyclohexenyl)phenyl]-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130663) is a ring assembly (CHEBI:36820)
Manual Xref Database
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