<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339685</id>
  <title nil="true"/>
  <common-name>1-(4-fluorophenyl)-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-ol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>219006</pubchem-id>
  <chemical-formula>C24H28FN3O</chemical-formula>
  <weight>393.5</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">2026-08-30T23:02:55Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:02:55Z</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>C1CN2CC3=C(CC2CN1CCCC(C4=CC=C(C=C4)F)O)C5=CC=CC=C5N3</moldb-smiles>
  <moldb-formula>C24H28FN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,24,26,29H,3,6,11-16H2</moldb-inchi>
  <moldb-inchikey>JMVWLBXXTJHCFV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">393.2216407</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM335578</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>1-(4-fluorophenyl)-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-ol</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>Indoles and derivatives</klass>
  <subklass>Pyridoindoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290103</sync-id>
  <structure-inchikey>JMVWLBXXTJHCFV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000020802000000100000000000000000000000000110000000100000000000000000000000040000000000000000000000000000000000000000000000800000000000000000000000004000008000010000000001000000001000000010000000000000004800000000000020100000000002400000000100000000001000000800000200000004000000000000108000000000000000000000010000000000000042400080000002000000000000000008000000010000000000000040000000000000000000000020000000000000000806200000001010000000000000006000040000000030000800020000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`�������`������� ������`������@(������@(�������`�������`�������`������� ������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h������	� ������`������@(������@h�������@h�������@h�������@h�������@(������@8���������������������h�����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:40:07Z</structure-indexed-at>
</compound>
