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<compound>
  <id type="integer">107360</id>
  <title nil="true"/>
  <common-name>Ly2608204</common-name>
  <description>Ly2608204 is an organic compound with the formula C28H37N3O3S3. Ly2608204 belongs to the phenylacetamides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 559.80 g/mol, Ly2608204 is a heavy molecule. This compound is associated with two recorded protein targets, acting as an activator or inhibitor of Serine/threonine-protein kinase Chk1 (CHEK1) and Hexokinase-4 (GCK).</description>
  <cas>1234703-40-2</cas>
  <pubchem-id>46832368</pubchem-id>
  <chemical-formula>C28H37N3O3S3</chemical-formula>
  <weight>559.8</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">2026-04-05T13:49:08Z</created-at>
  <updated-at type="dateTime">2026-08-22T08:31:35Z</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>DB12284</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>O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1</moldb-smiles>
  <moldb-formula>C28H37N3O3S3</moldb-formula>
  <moldb-inchi>InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1</moldb-inchi>
  <moldb-inchikey>QIIVJLHCZUTGSD-CUBQBAPOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">559.8</moldb-average-mass>
  <moldb-mono-mass type="decimal">559.199705</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.48</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>CHEM103253</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00072936</susdat-id>
  <iupac>(1R,2S)-2-cyclohexyl-1-[4-(cyclopropanesulfonyl)phenyl]-N-(5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropane-1-carboxamide</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>Benzene and substituted derivatives</klass>
  <subklass>Phenylacetamides</subklass>
  <paper-count type="integer">24</paper-count>
  <sync-id>CED0028474</sync-id>
  <structure-inchikey>QIIVJLHCZUTGSD-CUBQBAPOSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:42:19Z</structure-indexed-at>
</compound>
