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<compound>
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  <common-name>Phenazepam</common-name>
  <description nil="true"/>
  <cas>51753-57-2</cas>
  <pubchem-id>40113</pubchem-id>
  <chemical-formula>C15H10BrClN2O</chemical-formula>
  <weight>349.61</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">2016-06-03T13:51:48Z</created-at>
  <updated-at type="dateTime">2026-08-19T08:38:43Z</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>DB19164</drugbank-id>
  <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>OC1=NC2=C(C=C(Br)C=C2)C(=NC1)C1=CC=CC=C1Cl</moldb-smiles>
  <moldb-formula>C15H10BrClN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)</moldb-inchi>
  <moldb-inchikey>CGMJQQJSWIRRRL-UHFFFAOYSA-N</moldb-inchikey>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>36657</chemspider-id>
  <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>CHEM045968</chemdb-id>
  <dsstox-id>DTXSID00199685</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>NIVA/Waters</stoff-ident-origin>
  <stoff-ident-id>SI00009298</stoff-ident-id>
  <susdat-id>NS00010459</susdat-id>
  <iupac>7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one</iupac>
  <moldb-polar-surface-area>44.95</moldb-polar-surface-area>
  <moldb-refractivity>85.07390000000002</moldb-refractivity>
  <moldb-polarizability>30.527901754156844</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.9134240877481834</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>2.052607832599691</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>3.86</moldb-alogps-logp>
  <moldb-alogps-logs>-4.89</moldb-alogps-logs>
  <moldb-alogps-solubility>4.47e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzodiazepines</klass>
  <subklass>1,4-benzodiazepines</subklass>
  <paper-count type="integer">195</paper-count>
  <sync-id>CED0015413</sync-id>
  <structure-inchikey>CGMJQQJSWIRRRL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8010000000000000000000000000000000000000000000000000000008002002000010000000000800000000000000000000000000000400000008000000080000000000000000000000008800000000200000000010000000000000000104000000400030000000000020080000000000000000000000000800000000000000004000000000100000000000000000000000008004000000000080000080000000000000000000000000000000000000080000000000000002000000100001000000010000000000000000200000000000000000000000000000040000010008000000000000000000000020000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(������@(������@(������@h�������@(�����#� �����@h�������@h��������(�������(�������`������@(������@h�������@h�������@h�������@h�������@(������� ������� ��(��� ��h���h���h������h��	h��
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:13:56Z</structure-indexed-at>
</compound>
