<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320356</id>
  <title nil="true"/>
  <common-name>6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>63839</pubchem-id>
  <chemical-formula>C20H12Br2ClN3O2</chemical-formula>
  <weight>521.6</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">2026-08-29T19:13:35Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:13:35Z</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)OCC2=NC3=CC(=C(C=C3C(=O)N2C4=CC=CC=N4)Br)Br)Cl</moldb-smiles>
  <moldb-formula>C20H12Br2ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H12Br2ClN3O2/c21-13-9-12-16(10-14(13)22)25-19(11-28-17-6-2-1-5-15(17)23)26(20(12)27)18-7-3-4-8-24-18/h1-10H,11H2</moldb-inchi>
  <moldb-inchikey>NXTANNJSDRPFNT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">518.89848</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM316249</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>6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one</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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271104</sync-id>
  <structure-inchikey>NXTANNJSDRPFNT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000800000000000000000000000020000000000000000000000000000000022000000000002002000000000000000008000000000000080100120000002400000000000000000000120000000000100000000800040000100000000000000004000000000110000000000000100000000020001000001000000000000000000804020000000000010000000020100000020000000000000000000000000000000040000080000002000000000080000000000000000000000000000000000002001000100000000000010000000000000000200000000000000000000000001002040000000000000000000000020000440000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:33Z</structure-indexed-at>
</compound>
