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ONTOLOGY REPORT - ANNOTATIONS


Term:N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Accession:CHEBI:113685 term browser browse the term
Definition:A pyrazine that has formula C21H27N5O4.
Synonyms:related_synonym: Formula=C21H27N5O4;   InChI=1S/C21H27N5O4/c1-13-11-26(14(2)12-27)21(29)15-5-4-6-16(19(15)30-18(13)10-22-3)25-20(28)17-9-23-7-8-24-17/h4-9,13-14,18,22,27H,10-12H2,1-3H3,(H,25,28)/t13-,14-,18+/m1/s1;   InChIKey=TWHSADQACYCNBZ-LBTNJELSSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CNC)[C@H](C)CO
 xref: LINCS:LSM-25117


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  CHEBI ontology 223
    chemical entity 223
      atom 223
        nonmetal atom 216
          nitrogen atom 144
            nitrogen molecular entity 144
              organonitrogen compound 136
                carboxamide 44
                  secondary carboxamide 0
                    N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
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  CHEBI ontology 223
    subatomic particle 223
      composite particle 223
        hadron 223
          baryon 223
            nucleon 223
              atomic nucleus 223
                atom 223
                  main group element atom 216
                    p-block element atom 216
                      carbon group element atom 205
                        carbon atom 204
                          organic molecular entity 204
                            organic group 153
                              organic divalent group 152
                                organodiyl group 152
                                  carbonyl group 152
                                    carbonyl compound 152
                                      carboxylic acid 112
                                        carboacyl group 47
                                          univalent carboacyl group 47
                                            carbamoyl group 44
                                              carboxamide 44
                                                secondary carboxamide 0
                                                  N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
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