<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343620</id>
  <title nil="true"/>
  <common-name>11-(2-chlorobenzoyl)-14-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione</common-name>
  <description>11-(2-chlorobenzoyl)-14-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is a chemical compound with the formula C26H18ClN3O3. It has an average molecular weight of 455.90 g/mol.</description>
  <cas>882865-66-9</cas>
  <pubchem-id>90486687</pubchem-id>
  <chemical-formula>C26H18ClN3O3</chemical-formula>
  <weight>455.9</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">2026-08-31T05:08:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:08:28Z</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>C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6Cl</moldb-smiles>
  <moldb-formula>C26H18ClN3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H18ClN3O3/c27-19-13-7-6-12-18(19)24(31)23-21-20(22-17-11-5-4-8-15(17)14-28-30(22)23)25(32)29(26(21)33)16-9-2-1-3-10-16/h1-14,20-23H</moldb-inchi>
  <moldb-inchikey>VITMRZMGGLEFEX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">455.1036691</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM339513</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>11-(2-chlorobenzoyl)-14-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0293994</sync-id>
  <structure-inchikey>VITMRZMGGLEFEX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000002000000000000000000000000000000000000000000000000000000000000000000020000080000002102004000000000000000000000000000200000000000000400000000000001000000020000000000000000000000000000000800000010000000000400000000001000000000100000000020000000000101000004000080000800000080000002800000080000100000800000000000000000000000000084000002000080000000000000001804000080040000000001000000000000000000000000000000000000012000000000000000200000000000000000040000000000040000000000480010000000000080100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���&amp;���€��@h�������@h�������@h�������@(������@h�������@h��������(�������(�������(�������`�������`�������(�������(�������`�������(�������`������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(������� �������h���h���h���h���h��� �� ��(��	�	
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������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:42:59Z</structure-indexed-at>
</compound>
