<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343906</id>
  <title nil="true"/>
  <common-name>5-chloro-6-(2-chlorobenzoyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3087724</pubchem-id>
  <chemical-formula>C26H22Cl2N2O3</chemical-formula>
  <weight>481.4</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">2026-08-31T05:31:49Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:31:49Z</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>C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5Cl)OC3=O</moldb-smiles>
  <moldb-formula>C26H22Cl2N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H22Cl2N2O3/c27-21-9-5-4-8-19(21)25(31)20-14-24-23(15-22(20)28)30(26(32)33-24)16-29-12-10-18(11-13-29)17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2</moldb-inchi>
  <moldb-inchikey>DHPVRXOWOGOEFJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">480.100748</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</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>CHEM339799</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>5-chloro-6-(2-chlorobenzoyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzophenones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294280</sync-id>
  <structure-inchikey>DHPVRXOWOGOEFJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000400000000800000000000400000008000000000000000020000000000000000000020000008000002000004000000000000000000000000000000000000000000404000000000000000000120800000000000000000000000000000000004210000000000400000100000000000028100040000020000000000100000000000000000800000000000001202000000000108000000000000040001000000000004000000000000080000020000000001000000008000000000000000000000000100000800000000000001001010000000000001000200000000010000800000000000000040000000000400000000000000000100800000000000</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�	
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�������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:13Z</structure-indexed-at>
</compound>
