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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:1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide
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Accession:CHEBI:94486 term browser browse the term
Definition:A piperidine that has formula C26H32ClN7O4S.
Synonyms:related_synonym: Formula=C26H32ClN7O4S;   InChI=1S/C26H32ClN7O4S/c1-15(2)39(36,37)21-7-5-4-6-19(21)30-25-22(27)23(28)32-26(33-25)31-18-9-8-17(14-20(18)38-3)34-12-10-16(11-13-34)24(29)35/h4-9,14-16H,10-13H2,1-3H3,(H2,29,35)(H4,28,30,31,32,33);   InChIKey=IMEGLYUXMGWVQA-UHFFFAOYSA-N;   SMILES=CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC
 xref: LINCS:LSM-5245


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  CHEBI ontology 19848
    chemical entity 19846
      atom 19846
        nonmetal atom 19784
          nitrogen atom 18965
            nitrogen molecular entity 18965
              organonitrogen compound 18816
                organonitrogen heterocyclic compound 18155
                  piperidines 7743
                    1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organic heteromonocyclic compound 17804
                                    piperidines 7743
                                      1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide 0
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