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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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  CHEBI ontology 1298
    role 1298
      biological role 1298
        biochemical role 487
          apoptosis inducer 116
            ZM447439 0
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  CHEBI ontology 1298
    subatomic particle 1298
      composite particle 1298
        hadron 1298
          baryon 1298
            nucleon 1298
              atomic nucleus 1298
                atom 1298
                  main group element atom 1291
                    p-block element atom 1291
                      carbon group element atom 1281
                        carbon atom 1280
                          organic molecular entity 1280
                            heteroorganic entity 502
                              organochalcogen compound 454
                                organooxygen compound 452
                                  carbon oxoacid 369
                                    carboxylic acid 369
                                      carboacyl group 308
                                        univalent carboacyl group 308
                                          carbamoyl group 306
                                            carboxamide 306
                                              monocarboxylic acid amide 276
                                                arenecarboxamide 248
                                                  benzamides 248
                                                    ZM447439 0
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