<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141542</id>
  <title nil="true"/>
  <common-name>Denotivir</common-name>
  <description>Denotivir belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C18H14ClN3O2S and an average molecular weight of 371.84 g/mol.</description>
  <cas>51287-57-1</cas>
  <pubchem-id>39976</pubchem-id>
  <chemical-formula>C18H14ClN3O2S</chemical-formula>
  <weight>371.8</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">2026-04-15T17:59:01Z</created-at>
  <updated-at type="dateTime">2026-08-19T23:01:54Z</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>DB21323</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>CC1=NSC(NC(=O)C2=CC=CC=C2)=C1C(=O)NC1=CC=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C18H14ClN3O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H14ClN3O2S/c1-11-15(17(24)20-14-9-7-13(19)8-10-14)18(25-22-11)21-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,23)</moldb-inchi>
  <moldb-inchikey>ZPBLNADJHWHOEP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">371.84</moldb-average-mass>
  <moldb-mono-mass type="decimal">371.0495256</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM137435</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>5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-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>Anilides</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0055834</sync-id>
  <structure-inchikey>ZPBLNADJHWHOEP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000020000000000800000020000000800000000100000080000000000000000000000000000000000000002004000000000000000000000002000000200000000000400000200000000000000020000010000000000000000000000000000000010080000010000000000000000000000000000000000000000000000000008040020400800000000000000080000000000100000000000000001000200000000000000100001000084000000000000000000000000000000000000000000000000000000000000000000000400010000000002000000200000000001000008000000000000040000000000400000000000000204000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD
BAdAKAAAAAMDEEAoAAAAAwIGQCgAAAADBAcAaAAAAAMCAQYAKAAAAAMECAAo
AAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA
AAMDAQZAaAAAAAMDAQZAKAAAAAMEBgAoAAAAAwQIACgAAAADAgcAaAAAAAMC
AQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABBkBo
AAAAAwMBBkBoAAAAAwMBCwABAAECaAwCA2gMAwRoDAQFIAUGIAYHKAIGCCAI
CWgMCQpoDAoLaAwLDGgMDA1oDAQOaAwODyAPECgCDxEgERIgEhNoDBMUaAwU
FWgMFRYAFRdoDBcYaAwOAWgMGBJoDA0IaAxCAwAAAAUBAgMEDgYJCgsMDQgG
ExQVFxgSFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:18Z</structure-indexed-at>
</compound>
