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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)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Accession:CHEBI:124886 term browser browse the term
Definition:A (trifluoromethyl)benzene that has formula C29H32F3N5O4.
Synonyms:related_synonym: Formula=C29H32F3N5O4;   InChI=1S/C29H32F3N5O4/c1-18-14-37(19(2)17-38)28(40)22-5-4-6-23(35-27(39)24-13-33-11-12-34-24)26(22)41-25(18)16-36(3)15-20-7-9-21(10-8-20)29(30,31)32/h4-13,18-19,25,38H,14-17H2,1-3H3,(H,35,39)/t18-,19-,25-/m1/s1;   InChIKey=GICWHENSWCRTTD-MPCDZSKCSA-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)C(F)(F)F)[C@H](C)CO
 xref: LINCS:LSM-36328



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        refrigerant 18243
          tetrafluoromethane 6756
            trifluoromethyl group 6756
              (trifluoromethyl)benzenes 6756
                N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]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 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19105
                            organic hydride 18665
                              organic fundamental parent 18665
                                hydrocarbon 18401
                                  halohydrocarbon 15495
                                    haloalkane 12289
                                      fluoroalkane 8094
                                        fluoromethanes 6756
                                          tetrafluoromethane 6756
                                            trifluoromethyl group 6756
                                              (trifluoromethyl)benzenes 6756
                                                N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
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