<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348419</id>
  <title nil="true"/>
  <common-name>3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate</common-name>
  <description>3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is a compound with the chemical formula C28H34ClN3O5. With an average molecular weight of 528.00 g/mol, 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>51813</pubchem-id>
  <chemical-formula>C28H34ClN3O5</chemical-formula>
  <weight>528</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">2026-08-31T12:26:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:26:27Z</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=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCCN4CCN(CC4)CCO</moldb-smiles>
  <moldb-formula>C28H34ClN3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C28H34ClN3O5/c1-20-24(19-27(34)37-17-3-10-30-11-13-31(14-12-30)15-16-33)25-18-23(36-2)8-9-26(25)32(20)28(35)21-4-6-22(29)7-5-21/h4-9,18,33H,3,10-17,19H2,1-2H3</moldb-inchi>
  <moldb-inchikey>QJCCPGSTZVRQDW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">527.2186989</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM344312</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>3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate</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>Indoles and derivatives</klass>
  <subklass>Benzoylindoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298753</sync-id>
  <structure-inchikey>QJCCPGSTZVRQDW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000040008002080000000000000005080000000000004008200010000000000000000000024000000010000000000000000000000000000400000000000000000000040000000000000000000002400000000010000020000000000000004000001048000004000200010000000000002010000000000000000000000002000004002000000000000000008400000000000000000400000000000000020000000000000000004000008600000000000000000000000a000008100000080000000000000000000000040000000000010004000802002000200020000010000000000000000000040000000010400000000000008000000000004002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:48Z</structure-indexed-at>
</compound>
