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<compound>
  <version>1.0</version>
  <creation_date>2026-08-20 05:29:00 UTC</creation_date>
  <update_date>2026-08-20 05:29:00 UTC</update_date>
  <accession/>
  <common_name>[5-hydroxy-4-[4-(1-methylindol-5-yl)-5-oxo-1h-1,2,4-triazol-3-yl]-2-propan-2-ylphenyl] dihydrogen phosphate</common_name>
  <class>SmallMolecule</class>
  <description>[5-hydroxy-4-[4-(1-methylindol-5-yl)-5-oxo-1h-1,2,4-triazol-3-yl]-2-propan-2-ylphenyl] dihydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This organic acid and derivative has the formula C20H21N4O6P and an average molecular weight of 444.40 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H21N4O6P</chemical_formula>
  <average_molecular_weight>444.4</average_molecular_weight>
  <monisotopic_moleculate_weight>444.1198714</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles/>
  <inchi>InChI=1S/C20H21N4O6P/c1-11(2)14-9-15(17(25)10-18(14)30-31(27,28)29)19-21-22-20(26)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25H,1-3H3,(H,22,26)(H2,27,28,29)</inchi>
  <inchikey>JNWFIPVDEINBAI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
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  <state/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>444.4</value>
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    </property>
    <property>
      <kind>mono_mass</kind>
      <value>444.1198714</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H21N4O6P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H21N4O6P/c1-11(2)14-9-15(17(25)10-18(14)30-31(27,28)29)19-21-22-20(26)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25H,1-3H3,(H,22,26)(H2,27,28,29)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JNWFIPVDEINBAI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>135565962</pubchem_compound_id>
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