<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353118</id>
  <title nil="true"/>
  <common-name>2-chloro-1-n,4-n-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>204644</pubchem-id>
  <chemical-formula>C34H29ClN6O4+2</chemical-formula>
  <weight>621.1</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">2026-08-31T19:51:18Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:51:18Z</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>C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)Cl</moldb-smiles>
  <moldb-formula>C34H29ClN6O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C34H27ClN6O4/c1-40-17-3-5-27(20-40)38-31(42)22-7-12-25(13-8-22)36-33(44)24-11-16-29(30(35)19-24)34(45)37-26-14-9-23(10-15-26)32(43)39-28-6-4-18-41(2)21-28/h3-21H,1-2H3,(H2-2,36,37,38,39,42,43,44,45)/p+2</moldb-inchi>
  <moldb-inchikey>CLRFUKJOCMPAPI-UHFFFAOYSA-P</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">620.1938811</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM349011</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-chloro-1-n,4-n-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide</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>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303402</sync-id>
  <structure-inchikey>CLRFUKJOCMPAPI-UHFFFAOYSA-P</structure-inchikey>
  <structure-fingerprint>1000000040000000000000000000000100000000000000000000000000000000000000120002000000000000000000000001020002000000000200000000400000000000000000000020000040001001000000000000000000000000010000000011000000100000000000000000000000000000001000000000000040000400800000000000001080000000000000000000000000000000000000100000000000000000084000000000000000000000000000000000000000000000000000000000000000000000400012004000040000000200000000001000008008000000000040000000000400000000000000200100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������-���1���€���`������`*�������@h�������@h�������@h�������@(������@h��������h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h��������(�������(������@(������@h�������@(������@(������@h�������@h��������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h�������@(������@h�������`*�������@h�������@h�������@h��������`������� ����������h���h���h���h���h��� �� �	(��
 
�h���h��h��h���h�� �� ��(��� ��h���h���h���h���h��� ��(��� �� ��h���h���h�� h� !h��" "#(�"$ $% %&amp;h�&amp;'h�'(h�()h�)*h�'+��,���h��
h���h�!�h�*%h�B����������������
����������� !��&amp;'()*%����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:47Z</structure-indexed-at>
</compound>
