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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:1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperidinyl)methyl]-N-[(4-propan-2-yloxyphenyl)methylideneamino]-4-triazolecarboxamide
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Accession:CHEBI:109597 term browser browse the term
Definition:An aromatic ether that has formula C22H29N9O3.
Synonyms:related_synonym: Formula=C22H29N9O3;   InChI=1S/C22H29N9O3/c1-14(2)33-17-6-4-16(5-7-17)12-24-26-22(32)19-18(13-30-10-8-15(3)9-11-30)31(29-25-19)21-20(23)27-34-28-21/h4-7,12,14-15H,8-11,13H2,1-3H3,(H2,23,27)(H,26,32);   InChIKey=PSCYMHJAJFMXMI-UHFFFAOYSA-N;   SMILES=CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC(C)C
 xref: LINCS:LSM-21025


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  CHEBI ontology 499
    chemical entity 499
      group 493
        polyatomic entity 492
          molecule 473
            organic molecule 471
              organic cyclic compound 454
                organic aromatic compound 393
                  aromatic ether 57
                    1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperidinyl)methyl]-N-[(4-propan-2-yloxyphenyl)methylideneamino]-4-triazolecarboxamide 0
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  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    main group molecular entity 492
                      p-block molecular entity 492
                        carbon group molecular entity 481
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  ether 59
                                    aromatic ether 57
                                      1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperidinyl)methyl]-N-[(4-propan-2-yloxyphenyl)methylideneamino]-4-triazolecarboxamide 0
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