<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336741</id>
  <title nil="true"/>
  <common-name>(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C23H29N5O2S2. It has an average molecular weight of 471.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>1942199</pubchem-id>
  <chemical-formula>C23H29N5O2S2</chemical-formula>
  <weight>471.6</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">2026-08-30T19:17:35Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:17:35Z</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>CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CC(C)C</moldb-smiles>
  <moldb-formula>C23H29N5O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H29N5O2S2/c1-5-25-8-10-26(11-9-25)20-17(21(29)27-14-16(4)6-7-19(27)24-20)12-18-22(30)28(13-15(2)3)23(31)32-18/h6-7,12,14-15H,5,8-11,13H2,1-4H3/b18-12-</moldb-inchi>
  <moldb-inchikey>DASAVZNDDQRGGK-PDGQHHTCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">471.1762675</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM332634</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>(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287198</sync-id>
  <structure-inchikey>DASAVZNDDQRGGK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000300000010020808040000000200000000000000000200100001000000000405002000020000000020000002000000100000100000000800000000090000000000000000000080000000000000020000010080200000000000000000000000000000010000000000140010000000000020100100000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000100000000000000080000000000000020000000808000000a00000010000000000400000000000000000000000000000000042000000200000000011000080100000101000040000000800020000400000040000000000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���#���€���`�������`������� ������`�������`�������(�������`�������`������@(������@(������@(�������(������@(������@h�������@(������@h�������@h�������@(������@(�������`�������h��������(�������(�������(�������(�������(�������(������� ������`�������`�������`�������`����������������������������� �	h�	
h�
�(�
�h��h��h���h���h���h���h����	� ��(��� ��(��� �� ��(���������������������h���h����B������������
����	����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:03Z</structure-indexed-at>
</compound>
