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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:N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Accession:CHEBI:111758 term browser browse the term
Definition:A pyrazine that has formula C28H31Cl2N5O4.
Synonyms:related_synonym: Formula=C28H31Cl2N5O4;   InChI=1S/C28H31Cl2N5O4/c1-17-13-35(18(2)16-36)28(38)20-5-4-6-23(33-27(37)24-12-31-9-10-32-24)26(20)39-25(17)15-34(3)14-19-7-8-21(29)22(30)11-19/h4-12,17-18,25,36H,13-16H2,1-3H3,(H,33,37)/t17-,18+,25-/m1/s1;   InChIKey=KGMOSJADCSKDLW-FUMQJTLXSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
 xref: LINCS:LSM-23172


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Term Annotations click to browse term
  CHEBI ontology 22178
    chemical entity 22208
      atom 22170
        nonmetal atom 22055
          nitrogen atom 20030
            nitrogen molecular entity 20004
              organonitrogen compound 19809
                carboxamide 18106
                  secondary carboxamide 1221
                    N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            heteroorganic entity 21482
                              organochalcogen compound 20966
                                organooxygen compound 20806
                                  carbon oxoacid 19593
                                    carboxylic acid 19589
                                      carboacyl group 18277
                                        univalent carboacyl group 18277
                                          carbamoyl group 18088
                                            carboxamide 18106
                                              secondary carboxamide 1221
                                                N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
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