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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:E-3810 free base
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Accession:CHEBI:65209 term browser browse the term
Definition:A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine.
Synonyms:exact_synonym: 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide
 related_synonym: E-3810 amine;   Formula=C26H25N3O4;   InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30);   InChIKey=CUDVHEFYRIWYQD-UHFFFAOYSA-N;   SMILES=CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
 xref: Reaxys:18478470
 cyclic_relationship: is_conjugate_base_of CHEBI:65208



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  CHEBI ontology 19741
    role 19714
      application 19547
        pharmaceutical 19423
          drug 19423
            antineoplastic agent 17620
              E-3810 free base 0
Path 2
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  CHEBI ontology 19741
    subatomic particle 19739
      composite particle 19739
        hadron 19739
          baryon 19739
            nucleon 19739
              atomic nucleus 19739
                atom 19739
                  main group element atom 19687
                    p-block element atom 19687
                      carbon group element atom 19633
                        carbon atom 19629
                          organic molecular entity 19629
                            organic group 18837
                              organic divalent group 18822
                                organodiyl group 18822
                                  carbonyl group 18786
                                    carbonyl compound 18786
                                      carboxylic acid 18507
                                        carboacyl group 17646
                                          univalent carboacyl group 17646
                                            carbamoyl group 17486
                                              carboxamide 17486
                                                monocarboxylic acid amide 15556
                                                  arenecarboxamide 7311
                                                    naphthalenecarboxamide 3
                                                      E-3810 free base 0
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