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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:luminespib
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Accession:CHEBI:83656 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.
Synonyms:exact_synonym: 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
 related_synonym: Formula=C26H31N3O5;   InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32);   InChIKey=NDAZATDQFDPQBD-UHFFFAOYSA-N;   NVP-AUY922;   SMILES=CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
 xref: CAS:747412-49-3;   PMID:22286776;   PMID:22523597;   PMID:22619113;   PMID:22753713;   PMID:22810956;   PMID:23016912;   PMID:23064324;   PMID:23196876;   PMID:23340178;   PMID:23356405;   PMID:23493311;   PMID:24090817;   PMID:24551261;   PMID:24796583;   PMID:25027745;   PMID:25072314;   PMID:25085789;   PMID:25263741;   Reaxys:12046798;   Wikipedia:NVP-AUY922


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  CHEBI ontology 494
    role 501
      application 452
        pharmaceutical 453
          drug 446
            antineoplastic agent 323
              luminespib 0
Path 2
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbon oxoacid 364
                                    carboxylic acid 364
                                      carboacyl group 305
                                        univalent carboacyl group 305
                                          carbamoyl group 303
                                            carboxamide 306
                                              monocarboxylic acid amide 273
                                                luminespib 0
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