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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:1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
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Accession:CHEBI:122939 term browser browse the term
Definition:An urea that has formula C27H31F3N4O5.
Synonyms:related_synonym: Formula=C27H31F3N4O5;   InChI=1S/C27H31F3N4O5/c1-33-8-10-34(11-9-33)24(36)14-19-13-21-20-12-18(6-7-22(20)39-25(21)23(15-35)38-19)32-26(37)31-17-4-2-16(3-5-17)27(28,29)30/h2-7,12,19,21,23,25,35H,8-11,13-15H2,1H3,(H2,31,32,37)/t19-,21-,23+,25+/m1/s1;   InChIKey=CWTFRDOIHJRUHI-ASASOQJESA-N;   SMILES=CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F
 xref: LINCS:LSM-34382


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        agrochemical 16289
          fertilizer 13822
            urea 5579
              ureas 5577
                1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17549
                                            carboxamide 17549
                                              monocarboxylic acid amide 15680
                                                urea 5579
                                                  ureas 5577
                                                    1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea 0
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