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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:ZM447439
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Accession:CHEBI:91376 term browser browse the term
Definition:A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.
Synonyms:exact_synonym: N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide
 related_synonym: Formula=C29H31N5O4;   InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32);   InChIKey=OGNYUTNQZVRGMN-UHFFFAOYSA-N;   N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)benzamide;   N-[4-[[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]phenyl]benzamide;   SMILES=C(C=1C=CC=CC1)(=O)NC=2C=CC(=CC2)NC=3N=CN=C4C=C(C(=CC34)OC)OCCCN5CCOCC5;   ZM 447439
 xref: CAS:331771-20-1;   LINCS:LSM-1096;   PDB:2VRX;   PDBeChem:447;   PMID:12719470;   PMID:15616188;   PMID:18367484;   PMID:18418083;   PMID:18559266;   PMID:19298889;   PMID:19686703;   PMID:19923785;   PMID:21099354;   PMID:21159048;   PMID:21775627;   PMID:23613471;   PMID:24152827;   PMID:24680981;   PMID:24748653;   PMID:29147452;   Wikipedia:ZM447439


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5403
    role 5372
      biological role 5372
        biochemical role 5117
          apoptosis inducer 117
            ZM447439 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5403
    subatomic particle 5393
      composite particle 5393
        hadron 5393
          baryon 5393
            nucleon 5393
              atomic nucleus 5393
                atom 5393
                  main group element atom 5367
                    p-block element atom 5364
                      carbon group element atom 5287
                        carbon atom 5286
                          organic molecular entity 5286
                            heteroorganic entity 5135
                              organochalcogen compound 5089
                                organooxygen compound 5055
                                  carbon oxoacid 411
                                    carboxylic acid 406
                                      carboacyl group 228
                                        univalent carboacyl group 228
                                          carbamoyl group 225
                                            carboxamide 225
                                              monocarboxylic acid amide 102
                                                arenecarboxamide 6
                                                  benzamides 6
                                                    ZM447439 0
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