<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337755</id>
  <title nil="true"/>
  <common-name>6-benzoyl-2-chloro-1-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one</common-name>
  <description>6-benzoyl-2-chloro-1-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one is a chemical compound with the formula C24H14ClN3O5. It has an average molecular weight of 459.80 g/mol.</description>
  <cas>115410-29-2</cas>
  <pubchem-id>3087654</pubchem-id>
  <chemical-formula>C24H14ClN3O5</chemical-formula>
  <weight>459.8</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">2026-08-30T20:42:46Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:42:46Z</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=C(C=CC2=C1C(=O)C3=C(O2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3)C(=O)C5=CC=CC=C5)Cl</moldb-smiles>
  <moldb-formula>C24H14ClN3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C24H14ClN3O5/c1-13-17(25)8-10-20-21(13)22(29)16-12-26-18-11-15(28(31)32)7-9-19(18)27(24(16)33-20)23(30)14-5-3-2-4-6-14/h2-12H,1H3</moldb-inchi>
  <moldb-inchikey>NRPICKDKEUWUBY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">459.0621982</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM333648</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-benzoyl-2-chloro-1-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-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>Benzodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288184</sync-id>
  <structure-inchikey>NRPICKDKEUWUBY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000010100000000000000000000000080000000000000020000000000002002004000000000000800004000000000000000400000080400000000000000400000020806000000000001100000000400000000000010028000200000000100000000000000100000000000000000000002000000040000000800000000000802000000000001100000000000000400020000100000000000000000000084000000000000000000000000010008100000000000000000000000800000000000000000010000000002000000200000000000000e2000000000000004004000000140000080000100000c000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���%���€���`������@(������@(������@h�������@h�������@(������@(������@(�������(������@(������@(������@(�������(������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ����(�������h��������(�������(������@(������@h�������@h�������@h�������@h�������@h�������� ����������h���h���h���h���h���h���(��	h�	
h�
�h�
� � �h���h���h���h���h��� ��(��� �� ��(��� ��(��� ��h���h���h���h���h�� ���h���h��	 �h���h�B�������������	
�������������
	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:45Z</structure-indexed-at>
</compound>
