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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 0
    role 0
      biological role 0
        biochemical role 0
          apoptosis inducer 0
            ZM447439 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                arenecarboxamide 0
                                                  benzamides 0
                                                    ZM447439 0
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