<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">145720</id>
  <title nil="true"/>
  <common-name>GLPG2737</common-name>
  <description>GLPG2737 belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C30H40FN7O4S. With an average molecular weight of 613.75 g/mol, GLPG2737 is a heavy molecule.</description>
  <cas>2093974-63-9</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C30H40FN7O4S</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">2026-05-14T21:02:30Z</created-at>
  <updated-at type="dateTime">2026-05-14T21:02:30Z</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>DB28837</drugbank-id>
  <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>COC1CCN(CC1)C1CCN(CC1)C1=C2C(=NN(C2=NC(=C1)C(=O)NS(=O)(=O)N(C)C)C1=CC=C(F)C=C1)C1CCC1</moldb-smiles>
  <moldb-formula>C30H40FN7O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H40FN7O4S/c1-35(2)43(40,41)34-30(39)25-19-26(37-15-11-22(12-16-37)36-17-13-24(42-3)14-18-36)27-28(20-5-4-6-20)33-38(29(27)32-25)23-9-7-21(31)8-10-23/h7-10,19-20,22,24H,4-6,11-18H2,1-3H3,(H,34,39)</moldb-inchi>
  <moldb-inchikey>JPIAJLPRTOWAEC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">613.75</moldb-average-mass>
  <moldb-mono-mass type="decimal">613.284652133</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM141613</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 nil="true"/>
  <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>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer">36</paper-count>
  <sync-id>CED0025570</sync-id>
  <structure-inchikey>JPIAJLPRTOWAEC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000008200108010000000000000000000020000001402000000000000000100000010002000000200000010000000080000000000200000008000000000200000000c00000000000002000000000011002000000000000100400000001000000004101000010400000000002014100018000000000000010080000004100000000000000004200008010000000000000000100000000000040010000000400000000000008000000200000008000010008800000000000000000000000000000000000000000000002000000800000000000020000000000000000004000000b000040000000020400800100080000008000800000200000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAArAAAAMAAAAIABBgBgAAAAAQMIACAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:38Z</structure-indexed-at>
</compound>
