<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343518</id>
  <title nil="true"/>
  <common-name>9-bromo-5-(2,4-dichlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3308478</pubchem-id>
  <chemical-formula>C26H17BrCl2N2O</chemical-formula>
  <weight>524.2</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">2026-08-31T04:58:51Z</created-at>
  <updated-at type="dateTime">2026-08-31T04:58:51Z</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>C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C=C(C=C6)Cl)Cl</moldb-smiles>
  <moldb-formula>C26H17BrCl2N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C26H17BrCl2N2O/c27-18-7-10-25-21(12-18)24-14-23(17-6-5-15-3-1-2-4-16(15)11-17)30-31(24)26(32-25)20-9-8-19(28)13-22(20)29/h1-13,24,26H,14H2</moldb-inchi>
  <moldb-inchikey>ZIOXBEDUJQOUMK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">521.99013</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8</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>CHEM339411</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>9-bromo-5-(2,4-dichlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine</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>Benzoxazines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0293892</sync-id>
  <structure-inchikey>ZIOXBEDUJQOUMK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000004000000001800800100000000000000000000002000000000020020000000000000000c0000000000000200000080000000400000000200000000000000800000000000000000800102000200000000000080000000000000110000800400022100008000000001000000101113000000000001800000000000000004800000000100400000000000000000000000008000000000000000080000400000008000000000000000000000001000000000000000000000000100000000000010000000000000000200000000000000000000000001000040000008400000000000400000000000000000000000</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���h�����	 	
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�����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:42:53Z</structure-indexed-at>
</compound>
