<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">355893</id>
  <title nil="true"/>
  <common-name>[2,3,4,5,6-pentakis[(5-fluoropyridine-3-carbonyl)oxy]cyclohexyl] 5-fluoropyridine-3-carboxylate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>211912</pubchem-id>
  <chemical-formula>C42H24F6N6O12</chemical-formula>
  <weight>918.7</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">2026-09-01T00:54:45Z</created-at>
  <updated-at type="dateTime">2026-09-01T00:54:45Z</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>C1=C(C=NC=C1F)C(=O)OC2C(C(C(C(C2OC(=O)C3=CC(=CN=C3)F)OC(=O)C4=CC(=CN=C4)F)OC(=O)C5=CC(=CN=C5)F)OC(=O)C6=CC(=CN=C6)F)OC(=O)C7=CC(=CN=C7)F</moldb-smiles>
  <moldb-formula>C42H24F6N6O12</moldb-formula>
  <moldb-inchi>InChI=1S/C42H24F6N6O12/c43-25-1-19(7-49-13-25)37(55)61-31-32(62-38(56)20-2-26(44)14-50-8-20)34(64-40(58)22-4-28(46)16-52-10-22)36(66-42(60)24-6-30(48)18-54-12-24)35(65-41(59)23-5-29(47)17-53-11-23)33(31)63-39(57)21-3-27(45)15-51-9-21/h1-18,31-36H</moldb-inchi>
  <moldb-inchikey>AGHLKPWMHZZSCW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">918.1356392</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM351786</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>[2,3,4,5,6-pentakis[(5-fluoropyridine-3-carbonyl)oxy]cyclohexyl] 5-fluoropyridine-3-carboxylate</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Hexacarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306143</sync-id>
  <structure-inchikey>AGHLKPWMHZZSCW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000000000000000000240000000000000000000000000000000000004000000000000008000002000000000000000000000000000000000000000040000000000000000000000000020000000000110000000000000000000000000010000000000000000100000000000000000000010000000000000100000000000000000000000000200000000000010000000000000000000000000000000000000000000000000084000000000000000000000000000000000000100000000000000001000000000000000020200000000000000000000000000000000000000000000000040000000000400800002002000000000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������B���H���€��@h�������@(������@h�������@(������@h�������@(�����	� ������(�������(�������(�������`�������`�������`�������`�������`�������`�������(�������(�������(������@(������@h�������@(������@h�������@(������@h������	� ������(�������(�������(������@(������@h�������@(������@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">2026-09-19T05:53:46Z</structure-indexed-at>
</compound>
