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<compound>
  <id type="integer">346074</id>
  <title nil="true"/>
  <common-name>Anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate</common-name>
  <description>Anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate is a chemical compound with the formula C27H23ClN4O5S. With an average molecular weight of 551.00 g/mol, Anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate is a heavy molecule.</description>
  <cas>153260-35-6</cas>
  <pubchem-id>3073848</pubchem-id>
  <chemical-formula>C27H23ClN4O5S</chemical-formula>
  <weight>551</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">2026-08-31T09:23:21Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:23:21Z</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>CC(C1C(=O)N(C(=S)N(C1=O)NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)OCNC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C27H23ClN4O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C27H23ClN4O5S/c1-17(26(36)37-16-29-18-10-4-2-5-11-18)22-24(34)31(19-12-6-3-7-13-19)27(38)32(25(22)35)30-23(33)20-14-8-9-15-21(20)28/h2-15,17,22,29H,16H2,1H3,(H,30,33)</moldb-inchi>
  <moldb-inchikey>POIPIDRAYXJNRZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">550.1077687</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM341967</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>Anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296428</sync-id>
  <structure-inchikey>POIPIDRAYXJNRZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>44000000000000020000800040000000000010000000000100000000000000000000001000000021000000000002000004000000000000004000000002000000000000040000400000000000002000000020000000000101000000000000000000000000010000000000400000000000001400000100800000020000000000110000004240008000800000000000000080000080000100000000000000000400000000000001000000000000080000000080000003800000000000000010000000000000000004000000000000000000000012000000040000000200000000000000000048000000000040000000000400200000000000000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:55Z</structure-indexed-at>
</compound>
