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<compound>
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  <title nil="true"/>
  <common-name>2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>5182700</pubchem-id>
  <chemical-formula>C23H22N4O3S2</chemical-formula>
  <weight>466.6</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">2026-08-30T17:26:37Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:26:37Z</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>CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)[N+](=O)[O-])C)N)C#N</moldb-smiles>
  <moldb-formula>C23H22N4O3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22N4O3S2/c1-3-31-23-15(9-10-32-23)20-16(12-24)22(25)26(17-5-4-6-19(28)21(17)20)18-11-14(27(29)30)8-7-13(18)2/h7-11,20H,3-6,25H2,1-2H3</moldb-inchi>
  <moldb-inchikey>NCMGZVQDGYWTMA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">466.1133329</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM331211</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>2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</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>Quinolines and derivatives</klass>
  <subklass>Phenylquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285792</sync-id>
  <structure-inchikey>NCMGZVQDGYWTMA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80420000000080800000800000000900000000000400000400004000000100000000000002000020000004000000000000000000000000000000000000000000000000000020000000000100000000000028001030400000001000000001400000000200000000000200000000100008000000020100000000000000000000101800000040000080000000000000800000001000001000000000000040000020000100000000000400000000089100000000000000004000000000000000000000000001000200000000410000000000000002100100002000200210100000000000420000000000000040000200000000000800001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���#���€���`�������`������� �����@(������@(������@h�������@h�������@(�������`�������(�������(�������(�������(�������(�������(�������(�������`�������`�������`������@(������@(������@h�������@h�������@(������@h������� *��������(������ *���ÿ����`�������h��������(�������(�����������������h���h���h���h�����	�	
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��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:01Z</structure-indexed-at>
</compound>
