<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296192</id>
  <title nil="true"/>
  <common-name>(2e)-2-(phthalazin-1-ylhydrazinylidene)-3-prop-2-enyl-1,3-thiazinan-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>9588330</pubchem-id>
  <chemical-formula>C15H15N5OS</chemical-formula>
  <weight>313.4</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">2026-08-28T12:18:28Z</created-at>
  <updated-at type="dateTime">2026-08-28T12:18:28Z</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>C=CCN1C(=O)CCSC1=NNC2=NN=CC3=CC=CC=C32</moldb-smiles>
  <moldb-formula>C15H15N5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15N5OS/c1-2-8-20-13(21)7-9-22-15(20)19-18-14-12-6-4-3-5-11(12)10-16-17-14/h2-6,10H,1,7-9H2,(H,17,18)/b19-15+</moldb-inchi>
  <moldb-inchikey>SGYDEWYJIKRXFC-XDJHFCHBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">313.0997313</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM292085</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>(2e)-2-(phthalazin-1-ylhydrazinylidene)-3-prop-2-enyl-1,3-thiazinan-4-one</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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247606</sync-id>
  <structure-inchikey>SGYDEWYJIKRXFC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000c00000000010000000040000010000000000000000000000004000000020000000001000402000000000000000000000000000000000000000000000000000080000000000000120000010000200080004002000000000020402000000000040000000000000000000020108000100000000000000000000000000000001800000000000000080080000000100000000000004000000000000000000200010040200080000000004000000000000000000010000000100000000040000000000000208040000000000000000000000200200000010000000000800000001000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������h��������`�������(�������(�������(�������`�������`������� ������(�������(�������h�������@(������@(������@(������@h�������@(������@h�������@h�������@h�������@h�������@(������������������ ��(�����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:07:30Z</structure-indexed-at>
</compound>
