<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343844</id>
  <title nil="true"/>
  <common-name>9-[4-(2-chlorobenzoyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3044284</pubchem-id>
  <chemical-formula>C26H21ClN2O2</chemical-formula>
  <weight>428.9</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">2026-08-31T05:26:25Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:26:25Z</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(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)C5=CC=CC=C5Cl</moldb-smiles>
  <moldb-formula>C26H21ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H21ClN2O2/c27-23-12-6-5-11-22(23)26(31)29-15-13-28(14-16-29)24-17-18-7-1-2-8-19(18)25(30)21-10-4-3-9-20(21)24/h1-12,17H,13-16H2</moldb-inchi>
  <moldb-inchikey>WKPZHDZGKIMWNR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">428.1291556</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM339737</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-[4-(2-chlorobenzoyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-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>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294218</sync-id>
  <structure-inchikey>WKPZHDZGKIMWNR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000020100000000022000000000100000000000000000000000000000400000000400000000000000000040020000000000000000000000000000000000000010000000800400000100000000000020102000000020000000000000000000000000001800000000000000000000000000100002000000000000000000100000000000000040000080000000000000001000000408000008800000000000000040004000000000000000000000010400000000000000200000000000000000000008201000040000000000400000000000000000100004000000000</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�	
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���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:10Z</structure-indexed-at>
</compound>
