CHEBI:128136 - (8R,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

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ChEBI Name (8R,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
ChEBI ID CHEBI:128136
Stars This entity has been manually annotated by a third party.
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Formula C29H29FN4O2
Net Charge 0
Average Mass 484.566
Monoisotopic Mass 484.22745
InChI InChI=1S/C29H29FN4O2/c30-24-6-3-7-25(17-24)32-29(36)33-15-1-2-16-34-26(19-33)28(27(34)20-35)23-12-10-21(11-13-23)8-9-22-5-4-14-31-18-22/h3-7,10-14,17-18,26-28,35H,1-2,15-16,19-20H2,(H,32,36)/t26-,27+,28-/m0/s1
InChIKey DPVYQVLSTSPGBR-IARZGTGTSA-N
SMILES C1CCN2[C@@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5
ChEBI Ontology
Outgoing (8R,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128136) is a azetidines (CHEBI:38777)
(8R,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128136) is a benzenes (CHEBI:22712)
(8R,9S,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128136) is a ring assembly (CHEBI:36820)
Manual Xref Database
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