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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:2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
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Accession:CHEBI:107433 term browser browse the term
Definition:A N-arylpiperazine that has formula C25H27N5O3.
Synonyms:related_synonym: Formula=C25H27N5O3;   InChI=1S/C25H27N5O3/c1-32-15-16-33-25(31)20(17-26)23-24(28-22-10-6-5-9-21(22)27-23)30-13-11-29(12-14-30)18-19-7-3-2-4-8-19/h2-10,20H,11-16,18H2,1H3;   InChIKey=FIXHZJOAPUMNOS-UHFFFAOYSA-N;   SMILES=COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4
 xref: LINCS:LSM-18788


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      application 863
        solvent 280
          2-methoxyethanol 0
            2-methoxyethyl ester 0
              2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      chalcogen 4915
                        oxygen atom 4910
                          oxygen molecular entity 4883
                            hydroxides 4835
                              organic hydroxy compound 4767
                                polyol 4329
                                  diol 5
                                    glycol 3
                                      glycol ether 0
                                        2-methoxyethanol 0
                                          2-methoxyethyl ester 0
                                            2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester 0
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