342777 <common-name>6-[(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</common-name> <description>6-[(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid has the chemical formula C25H31N5O4S2. With an average molecular weight of 529.70 g/mol, 6-[(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6249341</pubchem-id> <chemical-formula>C25H31N5O4S2</chemical-formula> <weight>529.7</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">2026-08-31T03:56:50Z</created-at> <updated-at type="dateTime">2026-08-31T03:56:50Z</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)CCCCCC(=O)O</moldb-smiles> <moldb-formula>C25H31N5O4S2</moldb-formula> <moldb-inchi>InChI=1S/C25H31N5O4S2/c1-3-27-11-13-28(14-12-27)22-18(23(33)30-16-17(2)8-9-20(30)26-22)15-19-24(34)29(25(35)36-19)10-6-4-5-7-21(31)32/h8-9,15-16H,3-7,10-14H2,1-2H3,(H,31,32)/b19-15-</moldb-inchi> <moldb-inchikey>OHWXCXPIYYSYJB-CYVLTUHYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">529.1817468</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.1</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>CHEM338670</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>6-[(5z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</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>CED0293162</sync-id> <structure-inchikey>OHWXCXPIYYSYJB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000010020808040000000200000000000000000200100001000000000404002000020000000020000002004000100000100000000800000000090000000000000000000080000000000000020000010000200000000000000000000000000010010000000000140010004000000020100100000000000000000000000000040000000000002000000014000000000000000000000000000001000010000000100000000000000080000000000000020000002808000000a00000000000008000400000000000000000000000000000000042000400200000000011000080100000001000040000000810400000400000050000000000000000008</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���h����B������������ ���� � ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:42:19Z</structure-indexed-at> </compound>