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<compound>
  <id type="integer">339891</id>
  <title nil="true"/>
  <common-name>1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-[(e)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol</common-name>
  <description>1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-[(e)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol is a compound with the formula C24H29N3O4S. It has an average molecular weight of 455.60 g/mol.</description>
  <cas>79024-62-7</cas>
  <pubchem-id>6447627</pubchem-id>
  <chemical-formula>C24H29N3O4S</chemical-formula>
  <weight>455.6</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">2026-08-30T23:18:04Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:18:04Z</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=NN=C(S1)C=CC2=CC=CC=C2OCC(CNCCC3=CC(=C(C=C3)OC)OC)O</moldb-smiles>
  <moldb-formula>C24H29N3O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H29N3O4S/c1-17-26-27-24(32-17)11-9-19-6-4-5-7-21(19)31-16-20(28)15-25-13-12-18-8-10-22(29-2)23(14-18)30-3/h4-11,14,20,25,28H,12-13,15-16H2,1-3H3/b11-9+</moldb-inchi>
  <moldb-inchikey>FDQLNFIVCBQQJT-PKNBQFBNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">455.1878776</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM335784</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>1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-[(e)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol</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>Methoxybenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290307</sync-id>
  <structure-inchikey>FDQLNFIVCBQQJT-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:40:17Z</structure-indexed-at>
</compound>
