CHEBI:127191 - (3-fluorophenyl)-[(8R,9S,10R)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3-fluorophenyl)-[(8R,9S,10R)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
ChEBI ID CHEBI:127191
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H33FN2O3
Net Charge 0
Average Mass 476.583
Monoisotopic Mass 476.24752
InChI InChI=1S/C29H33FN2O3/c30-24-7-5-6-23(18-24)28(34)31-16-3-4-17-32-25(19-31)27(26(32)20-33)22-10-8-21(9-11-22)12-15-29(35)13-1-2-14-29/h5-11,18,25-27,33,35H,1-4,13-14,16-17,19-20H2/t25-,26-,27-/m0/s1
InChIKey OEVUOILLXMHDGY-QKDODKLFSA-N
SMILES C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@H]3CO)C(=O)C5=CC(=CC=C5)F)O
ChEBI Ontology
Outgoing (3-fluorophenyl)-[(8R,9S,10R)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127191) is a azetidines (CHEBI:38777)
(3-fluorophenyl)-[(8R,9S,10R)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127191) is a benzenes (CHEBI:22712)
(3-fluorophenyl)-[(8R,9S,10R)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127191) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38751 LINCS
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