<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335451</id>
  <title nil="true"/>
  <common-name>N-[4-(acridin-9-ylamino)phenyl]butane-1-sulfonamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>40674</pubchem-id>
  <chemical-formula>C23H23N3O2S</chemical-formula>
  <weight>405.5</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">2026-08-30T17:37:33Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:37:33Z</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>CCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42</moldb-smiles>
  <moldb-formula>C23H23N3O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H23N3O2S/c1-2-3-16-29(27,28)26-18-14-12-17(13-15-18)24-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23/h4-15,26H,2-3,16H2,1H3,(H,24,25)</moldb-inchi>
  <moldb-inchikey>OANPGUJBWMJAIJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">405.1510982</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM331344</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>N-[4-(acridin-9-ylamino)phenyl]butane-1-sulfonamide</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>Benzoquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285922</sync-id>
  <structure-inchikey>OANPGUJBWMJAIJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000040000100000000000000000000000042000000000000020000002404000004000000000000000140100000000000000000000000090000000000000020000000000000000000000000000000000020000000000010000000000000000000000000000000000000000000008000008040002000804000000000000080000000000100000000000000000200000008000000000000040000080000000000000000000000082000000000080000000000040000000000000000000000000004000000000000000200000000000000000000000001000040000000010000000000000000000000000000000000</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�
�h���h��h��� �� ��h���h���h���h���h���h���h���h���h���h���h���h���h��h���h���h���h�B��������
	�������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:08Z</structure-indexed-at>
</compound>
