<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">61068</id>
  <title nil="true"/>
  <common-name>[5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone</common-name>
  <description>[5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. This compound has the formula C26H24F1N1O1 and an average molecular weight of 385.48 g/mol. It is further classified under the superclass of benzenoids.</description>
  <cas>914458-26-7</cas>
  <pubchem-id>16049783</pubchem-id>
  <chemical-formula>C26H24F1N1O1</chemical-formula>
  <weight nil="true"/>
  <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">2026-03-27T01:33:38Z</created-at>
  <updated-at type="dateTime">2026-03-27T01:33:38Z</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>CCCCCN1C=C(C=C1C1=CC=CC=C1F)C(=O)C1=CC=CC2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C26H24F1N1O1</moldb-formula>
  <moldb-inchi>InChI=1S/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3</moldb-inchi>
  <moldb-inchikey>WYNZPDDTQGVCLZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">385.482</moldb-average-mass>
  <moldb-mono-mass type="decimal">385.184193</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>13178178</chemspider-id>
  <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>CHEM056961</chemdb-id>
  <dsstox-id>DTXSID60581542</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00007393</susdat-id>
  <iupac>[5-(2-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone</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>Naphthalenes</klass>
  <subklass>Naphthalenecarboxylic acids and derivatives</subklass>
  <paper-count type="integer">6</paper-count>
  <sync-id>CED0040347</sync-id>
  <structure-inchikey>WYNZPDDTQGVCLZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000800000000000000000000000020000000004000002000000000002000000000000008000000000000000000000001000800000000000000000000000000000010000000000000020000000000010000000000000000000000020410000000000000000100004200000000100000000000080000000000081000040000001800080000000004010000000000100000000000000000000000000000000004000040000084000000000020009010000000000000000000000000000040000000000001000000000000000080000000000000200000000000000000000008001000040020000010400800000000000000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:14:34Z</structure-indexed-at>
</compound>
