<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>2-[(e)-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>135583279</pubchem-id>
  <chemical-formula>C21H27N3O</chemical-formula>
  <weight>337.5</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">2026-08-30T08:08:44Z</created-at>
  <updated-at type="dateTime">2026-08-30T08:08:44Z</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"/>
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  <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)CN2CCN(CC2)N=CC3=CC=CC=C3O)C</moldb-smiles>
  <moldb-formula>C21H27N3O</moldb-formula>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM324188</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>2-[(e)-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0278887</sync-id>
  <structure-inchikey>GGBUEMRZYWVGKM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>208000000000000400000000000000000800000000000000400000000000000080000000000000000000000000004000000000000000000000000000000000000200000000000000000008000002001000040000000000000080000100000000000000801000000000000201000000400000000000100000000000400000008000000000000000000000000001000000000000000000000000000000000000000000000801008800000000000000000080000000000000000000000000000021000000000000000000000000000020200002000c0000010000000101000000000040000000000000000000400000000000000000002000</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��������	�	
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���	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:31:25Z</structure-indexed-at>
</compound>
