CHEBI:126233 - (8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
ChEBI ID CHEBI:126233
Stars This entity has been manually annotated by a third party.
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Formula C27H33FN4O2
Net Charge 0
Average Mass 464.576
Monoisotopic Mass 464.25875
InChI InChI=1S/C27H33FN4O2/c1-30(2)15-7-8-20-11-13-21(14-12-20)26-24-18-31(16-5-6-17-32(24)25(26)19-33)27(34)29-23-10-4-3-9-22(23)28/h3-4,9-14,24-26,33H,5-6,15-19H2,1-2H3,(H,29,34)/t24-,25-,26+/m0/s1
InChIKey UHSGINZYOHEQBA-KKUQBAQOSA-N
SMILES CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)NC4=CC=CC=C4F
ChEBI Ontology
Outgoing (8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126233) is a azetidines (CHEBI:38777)
(8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126233) is a benzenes (CHEBI:22712)
(8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126233) is a ring assembly (CHEBI:36820)
Manual Xref Database
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