<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344166</id>
  <title nil="true"/>
  <common-name>2-[[(2s)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-5-hydroxyisoquinolin-1-one</common-name>
  <description>2-[[(2s)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-5-hydroxyisoquinolin-1-one is a chemical compound with the formula C26H24FN3O3S. It has an average molecular weight of 477.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>118753162</pubchem-id>
  <chemical-formula>C26H24FN3O3S</chemical-formula>
  <weight>477.6</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">2026-08-31T06:00:23Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:00:23Z</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>CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCCC3CN4C=CC5=C(C4=O)C=CC=C5O</moldb-smiles>
  <moldb-formula>C26H24FN3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C26H24FN3O3S/c1-16-28-23(24(34-16)17-8-10-18(27)11-9-17)26(33)30-13-3-2-5-19(30)15-29-14-12-20-21(25(29)32)6-4-7-22(20)31/h4,6-12,14,19,31H,2-3,5,13,15H2,1H3/t19-/m0/s1</moldb-inchi>
  <moldb-inchikey>GKLCFHOWTGKAFS-IBGZPJMESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">477.152241</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM340059</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-[[(2s)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-5-hydroxyisoquinolin-1-one</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>Isoquinolines and derivatives</klass>
  <subklass>Isoquinolones and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294538</sync-id>
  <structure-inchikey>GKLCFHOWTGKAFS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>802000000000000000002000000040000000000020010000000000000020000020000000002000000000000200000000000000200080000000011000000000000000000000000020004010000010000000000000000000000000010000000010000000080020800800020100000000000000000000100801000040000000800400200000000000800000000000000000000000010000000000020016000000040100080000002000000200010000008000008000400000008000040000402100000000000000020100000000002000000200000010000000000001000001000040000000000400800000000000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���&amp;���€���`������@(������@(������@(������@(������@(������@(������@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">2026-09-19T05:43:27Z</structure-indexed-at>
</compound>
