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Accession:CHEBI:90180 term browser browse the term
Definition:A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.
Synonyms:related_synonym: CL-387,785;   CL-387785;   EKB-785;   EKI-785;   Formula=C18H13BrN4O;   InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23);   InChIKey=BTYYWOYVBXILOJ-UHFFFAOYSA-N;   N-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide;   N-{4-[(m-bromophenyl)amino]-6-quinazolinyl}-2-butynamide;   N-{4-[(m-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide;   SMILES=BrC=1C=C(NC2=NC=NC3=C2C=C(NC(=O)C#CC)C=C3)C=CC1
 xref: CAS:194423-06-8 "ChemIDplus";   PMID:10086326 "Europe PMC";   PMID:10432378 "Europe PMC";   PMID:10620185 "Europe PMC";   PMID:11495584 "Europe PMC";   PMID:15813677 "Europe PMC";   PMID:16103058 "Europe PMC";   PMID:16480284 "Europe PMC";   PMID:22366308 "Europe PMC";   Reaxys:9076651 "Reaxys"

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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      application 19336
        pharmaceutical 19211
          drug 19211
            antineoplastic agent 16895
              N-\{4-[(3-bromophenyl)amino]quinazolin-6-yl\}but-2-ynamide 0
Path 2
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  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                alpha,beta-unsaturated carboxylic acid amide 4760
                                                  ynamide 0
                                                    N-\{4-[(3-bromophenyl)amino]quinazolin-6-yl\}but-2-ynamide 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.