<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347673</id>
  <title nil="true"/>
  <common-name>[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3054997</pubchem-id>
  <chemical-formula>C28H23ClF3N3O2</chemical-formula>
  <weight>525.9</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">2026-08-31T11:28:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:28:27Z</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(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F</moldb-smiles>
  <moldb-formula>C28H23ClF3N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H23ClF3N3O2/c29-21-6-3-19(4-7-21)27(37)12-15-35(16-13-27)26(36)18-1-8-22(9-2-18)34-24-11-14-33-25-17-20(28(30,31)32)5-10-23(24)25/h1-11,14,17,37H,12-13,15-16H2,(H,33,34)</moldb-inchi>
  <moldb-inchikey>AZWPXPDYMDKHIC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">525.1430892</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM343566</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>[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoyl derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298011</sync-id>
  <structure-inchikey>AZWPXPDYMDKHIC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10020000000000000000101000000800000000000000000000000000000000000000020000000800000000000000000081040000000000000084000000000000000000000200000400000000000000000010000000010000140900000100000001000000000000201020000000100000000000000000000080200000040000000000000a82000000000000000800000000800000000000000000000000400000840000000400000000c000000800000810028000000000000000000000000000400000040001000400004000400020000000000000000000000000000204000000000040080000000000040000000c000000000</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�	
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�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">2026-09-19T05:46:13Z</structure-indexed-at>
</compound>
