<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344636</id>
  <title nil="true"/>
  <common-name>(5z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C26H27N5O2S2. With an average molecular weight of 505.70 g/mol, (5z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is a heavy molecule.</description>
  <cas>372500-24-8</cas>
  <pubchem-id>1902258</pubchem-id>
  <chemical-formula>C26H27N5O2S2</chemical-formula>
  <weight>505.7</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">2026-08-31T06:42:22Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:42:22Z</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>CCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC=CC=C5)SC1=S</moldb-smiles>
  <moldb-formula>C26H27N5O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H27N5O2S2/c1-3-30-25(33)21(35-26(30)34)16-20-23(27-22-18(2)8-7-11-31(22)24(20)32)29-14-12-28(13-15-29)17-19-9-5-4-6-10-19/h4-11,16H,3,12-15,17H2,1-2H3/b21-16-</moldb-inchi>
  <moldb-inchikey>HZMOOUCHJNGWFI-PGMHBOJBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">505.1606175</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM340529</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-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-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>CED0295004</sync-id>
  <structure-inchikey>HZMOOUCHJNGWFI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000001020808140000000200000000000000000000100000000000000404002000020000000020000002004000100000000000000000000000080000000000000000010080080000000000028000010000200000000000000000000008000000000000000000100010000000000020100100000000000000000000000000040200000800400000000000000000000000100000000000000000000000000000000000020000000080100000000000020000000808000000a00000000000000020000000000000000000000000010008000042000000220041000011000000000000001200040000000800000000400000040000001000000000008</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�	
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�h���h��h��h���h���h���(������ �����������������������h���h���h���h���h�� � !�!"(�!� ��h��
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������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:55Z</structure-indexed-at>
</compound>
