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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:(8R,9R,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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Accession:CHEBI:129687 term browser browse the term
Definition:An azetidine that has formula C29H29FN4O2.
Synonyms:related_synonym: Formula=C29H29FN4O2;   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-UPRLRBBYSA-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
 xref: LINCS:LSM-41238

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                (8R,9R,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide 0
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                                      (8R,9R,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide 0
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