<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319674</id>
  <title nil="true"/>
  <common-name>7-[2-hydroxy-3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]-1,3-dimethylpurine-2,6-dione</common-name>
  <description>7-[2-hydroxy-3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]-1,3-dimethylpurine-2,6-dione is a chemical compound with the formula C19H28N8O4. It has an average molecular weight of 432.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>24844078</pubchem-id>
  <chemical-formula>C19H28N8O4</chemical-formula>
  <weight>432.5</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">2026-08-29T18:21:34Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:21:34Z</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>CN1CCN(CC1)CCC2=NC(=NO2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O</moldb-smiles>
  <moldb-formula>C19H28N8O4</moldb-formula>
  <moldb-inchi>InChI=1S/C19H28N8O4/c1-23-6-8-26(9-7-23)5-4-15-21-14(22-31-15)10-13(28)11-27-12-20-17-16(27)18(29)25(3)19(30)24(17)2/h12-13,28H,4-11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>MZLQBQAOTLKDEQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">432.2233514</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.8</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>CHEM315567</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>7-[2-hydroxy-3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]-1,3-dimethylpurine-2,6-dione</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>Organoheterocyclic compounds</superklass>
  <klass>Imidazopyrimidines</klass>
  <subklass>Purines and purine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270443</sync-id>
  <structure-inchikey>MZLQBQAOTLKDEQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4002000040000000002180000000000000000000000000000001002010000280000000000000002000000000000000200000800000000000000000000000008000000000000008000000000000000800002080000000000000000000000008001000000001000000010000000000100000002402090000000000000000000000800000004000000000000000000000500000000000001000000008100020000000000010000000000000000108000080000004008809000000a000000000000002000000000000000000002000080000000000008000000000000000000000010000000000000001000040000000000020000000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`������� ������`�������`������� ������`�������`�������`�������`������@(������@(������@(������@(������@(�������`�������`�������`������@(������@h�������@(������@(������@(������@(�������(������@(������@(�������(������@(�������`�������`�������`�������������������������������	�	
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	�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:56Z</structure-indexed-at>
</compound>
