<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">84684</id>
  <title nil="true"/>
  <common-name>Chloro-6,15-dihydroanthrazine-5,9,14,18-tetrone</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>18955562</pubchem-id>
  <chemical-formula>C28H13ClN2O4</chemical-formula>
  <weight>476.9</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">2026-04-04T20:04:46Z</created-at>
  <updated-at type="dateTime">2026-08-22T07:59:25Z</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>ClC1=CC2=C(C=C1)C(=O)C1=C(C2=O)C2=NC3=C(N=C2C=C1)C1=C(C=C3)C(=O)C2=CC=CC=C2C1=O</moldb-smiles>
  <moldb-formula>C28H13ClN2O4</moldb-formula>
  <moldb-inchi>InChI=1/C28H13ClN2O4/c29-17-7-3-6-14-20(17)27(34)16-9-11-19-24(22(16)28(14)35)31-18-10-8-15-21(23(18)30-19)26(33)13-5-2-1-4-12(13)25(15)32/h1-11,30-31H</moldb-inchi>
  <moldb-inchikey>FMQYRNHIUXVQBR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">474.86</moldb-average-mass>
  <moldb-mono-mass type="decimal">476.0563846</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM080577</chemdb-id>
  <dsstox-id>DTXSID80927660</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00044666</susdat-id>
  <iupac>10-chloro-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6(11),7,9,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone</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"/>
</compound>
