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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-[(2S)-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]-2,5-dimethyl-3-pyrazolecarboxamide
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Accession:CHEBI:124360 term browser browse the term
Definition:A (trifluoromethyl)benzene that has formula C30H36F3N5O4.
Synonyms:related_synonym: Formula=C30H36F3N5O4;   InChI=1S/C30H36F3N5O4/c1-18-14-38(20(3)17-39)29(41)23-7-6-8-24(34-28(40)25-13-19(2)35-37(25)5)27(23)42-26(18)16-36(4)15-21-9-11-22(12-10-21)30(31,32)33/h6-13,18,20,26,39H,14-17H2,1-5H3,(H,34,40)/t18-,20+,26-/m1/s1;   InChIKey=QDWNULGEXLCSRK-ZTEVPRNISA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
 xref: LINCS:LSM-35802


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Term Annotations click to browse term
  CHEBI ontology 5067
    role 5032
      application 871
        refrigerant 394
          tetrafluoromethane 2
            trifluoromethyl group 2
              (trifluoromethyl)benzenes 2
                N-[(2S,3R)-5-[(2S)-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]-2,5-dimethyl-3-pyrazolecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    main group molecular entity 5027
                      s-block molecular entity 4958
                        hydrogen molecular entity 4951
                          hydrides 4556
                            organic hydride 4400
                              organic fundamental parent 4400
                                hydrocarbon 4360
                                  halohydrocarbon 22
                                    haloalkane 3
                                      fluoroalkane 2
                                        fluoromethanes 2
                                          tetrafluoromethane 2
                                            trifluoromethyl group 2
                                              (trifluoromethyl)benzenes 2
                                                N-[(2S,3R)-5-[(2S)-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]-2,5-dimethyl-3-pyrazolecarboxamide 0
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