<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334254</id>
  <title nil="true"/>
  <common-name>7-chloro-1-(4-methylbenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione</common-name>
  <description>7-chloro-1-(4-methylbenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione is a chemical compound with the formula C23H17ClN2O3. It has an average molecular weight of 404.80 g/mol.</description>
  <cas>24863-08-9</cas>
  <pubchem-id>212770</pubchem-id>
  <chemical-formula>C23H17ClN2O3</chemical-formula>
  <weight>404.8</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">2026-08-30T15:51:54Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:51:54Z</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>CC1=CC=C(C=C1)C(=O)N2C(=O)CC(=O)N(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C23H17ClN2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17ClN2O3/c1-15-7-9-16(10-8-15)23(29)26-19-12-11-17(24)13-20(19)25(21(27)14-22(26)28)18-5-3-2-4-6-18/h2-13H,14H2,1H3</moldb-inchi>
  <moldb-inchikey>VSBNMXRPYOFXJY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">404.0927701</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>CHEM330147</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>7-chloro-1-(4-methylbenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-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>Organoheterocyclic compounds</superklass>
  <klass>Benzodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284732</sync-id>
  <structure-inchikey>VSBNMXRPYOFXJY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000001000000000000000000440000000000080001000000000000000000020000000000000000004000000000000000004200000000000000000000000400000000000000000000020040000000000000000000000000000000002010080000000000000100000000000020100000100000000000000000000004040000000800000000000000000000080000100000000000040000000000100000000000000000000084000000000000000000000000000008110000000000008000000000000000000000000000012004000002000000200000000000000000140000000000040000000001480000000004000000000000000000000</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��� ��(��	 	
 
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	����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:08Z</structure-indexed-at>
</compound>
