<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339084</id>
  <title nil="true"/>
  <common-name>2-[6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]purin-9-yl]ethanol</common-name>
  <description>2-[6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]purin-9-yl]ethanol is a compound with the chemical formula C24H24F2N6O. It has an average molecular weight of 450.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>216547</pubchem-id>
  <chemical-formula>C24H24F2N6O</chemical-formula>
  <weight>450.5</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">2026-08-30T22:18:14Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:18:14Z</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=NC=NC3=C2N=CN3CCO)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F</moldb-smiles>
  <moldb-formula>C24H24F2N6O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H24F2N6O/c25-19-5-1-17(2-6-19)22(18-3-7-20(26)8-4-18)30-9-11-31(12-10-30)23-21-24(28-15-27-23)32(13-14-33)16-29-21/h1-8,15-16,22,33H,9-14H2</moldb-inchi>
  <moldb-inchikey>SIPDZPQZVJGUBP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">450.1979657</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM334977</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-[6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]purin-9-yl]ethanol</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>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289509</sync-id>
  <structure-inchikey>SIPDZPQZVJGUBP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40010000000000000000802000000004200004000000000000044002000000000000000000000000000000000000002000000100000000000004004000400000000000000000000000000000000000000000000000000010000000800000000000000000010000000000000000000800000000020900000000000000000000000000000000000000010000000000004000000000000000000000000000004000000000000040000000000c01080000002000000000090000808000000800000000000000000000000000001000000000020000008000000800000200000000000000200000000006000040000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7134e0008512825081001b648138a0091a10140081052000003d2040823449cc6c222051138000000108490804c8000804600225508d32210026643900a04010c7110c081290040000901040007202000804859051211f33400414625002c1140c28052f00480220644d0490ddb5004d248680700101e14413982c6002510202146800084ef0820808060250ce2c0008391d089244403e8a5403182060c040ac88d3101200b0c02002044b60017c35304ac80402a941084018804a106cc00213a01010e484f8063301818600565102900d410000034850200d6902842a012300901049100889030011000413d11224824050003084c2042e010010007a000602</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJQAAAIABBgBgAAAAAgIGAGAAAAAC
AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBwAoAAAAAwMGQCgAAAADBAdAKAAA
AAMDBkBoAAAAAwMBB0AoAAAAAwMGQCgAAAADBAZAKAAAAAMEB0AoAAAAAwMG
QGgAAAADAwEHQCgAAAADAwYAYAAAAAICBgBgAAAAAgIIAGAAAAABAQYAYAAA
AAMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD
AQZAaAAAAAMDAQkAIAAAAAEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA
KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBCQAgAAAAAQsAAQABAgACAwADBAAE
BQAFBiAGB2gMBwhoDAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ5oDA4PAA8QABAR
AAISABITABMUaAwUFWgMFRZoDBYXaAwXGGgMFhkAEhoAGhtoDBscaAwcHWgM
HR5oDB4faAwdIAAFAAALBmgMDgpoDBgTaAwfGmgMQgUAAAAGAAUEAwIBBgcI
CQoLBgUMCwoODQYUFRYXGBMGGxwdHh8aFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:40Z</structure-indexed-at>
</compound>
