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<compound>
  <id type="integer">337122</id>
  <title nil="true"/>
  <common-name>4-[[(2s,3s,4r,5r)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-n-prop-2-enylbenzamide</common-name>
  <description>4-[[(2s,3s,4r,5r)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-n-prop-2-enylbenzamide is a chemical compound with the formula C23H31N5O3. It has an average molecular weight of 425.50 g/mol.</description>
  <cas>72362-98-2</cas>
  <pubchem-id>3085797</pubchem-id>
  <chemical-formula>C23H31N5O3</chemical-formula>
  <weight>425.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T19:50:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:50:11Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCN1C(C(C(C(C1=O)C#N)C)N=NC2=CC=C(C=C2)C(=O)NCC=C)O</moldb-smiles>
  <moldb-formula>C23H31N5O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H31N5O3/c1-4-6-7-8-14-28-22(30)19(15-24)16(3)20(23(28)31)27-26-18-11-9-17(10-12-18)21(29)25-13-5-2/h5,9-12,16,19-20,23,31H,2,4,6-8,13-14H2,1,3H3,(H,25,29)/t16-,19+,20+,23+/m1/s1</moldb-inchi>
  <moldb-inchikey>FZZPUHMCWIQHCP-LLPLAXKASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">425.2426899</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM333015</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-[[(2s,3s,4r,5r)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-n-prop-2-enylbenzamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287569</sync-id>
  <structure-inchikey>FZZPUHMCWIQHCP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000100000000000080000000800080000000000000000420000000000000004000000200002000000000000000000000000000004000080000800200080000000000000000000005000000000000002100002000020000000414000000040000022001000000000000000000000400000000110800000000000000000010000000004020040000000000000001408000000000001000080100000040000000000004000000000000020008c000000000000008000000000000000000000000100000000100000000000000040000400000004000000000000200000100000000000000000002000040040000010400000001000000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:20Z</structure-indexed-at>
</compound>
