Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:Ro 320-1195
go back to main search page
Accession:CHEBI:45116 term browser browse the term
Definition:An organofluorine compound that is 4-benzoylpyrazole in which the phenyl is substituted at position 3 by a (2,3-dihydroxypropyl)oxy group and in which the pyrazole moiety is substituted at positions 1 and 5 by a 4-fluorophenyl group and an amino group, respectively.
Synonyms:related_synonym: Formula=C19H18FN3O4;   InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1;   InChIKey=IJDQETGUEUJVTB-HNNXBMFYSA-N;   SMILES=Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1;   [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE;   [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2S)-2,3-dihydroxypropyl]oxy}phenyl)methanone
 alt_id: CHEBI:38979;   CHEBI:45111
 xref: Beilstein:10477862;   DrugBank:DB08424;   PDBeChem:PQB;   Reaxys:10477862



show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      application 19745
        refrigerant 18065
          ammonia 17502
            organic amino compound 17502
              primary amino compound 8282
                Ro 320-1195 0
                  linkable Ro 320-1195 analogue 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic molecule 19822
                              organic cyclic compound 19575
                                organic heterocyclic compound 18798
                                  heteroarene 16604
                                    monocyclic heteroarene 13603
                                      azole 12834
                                        diazole 8623
                                          pyrazoles 2305
                                            benzoylpyrazole 0
                                              4-benzoylpyrazole 0
                                                Ro 320-1195 0
                                                  linkable Ro 320-1195 analogue 0
paths to the root