<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351753</id>
  <title nil="true"/>
  <common-name>N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide</common-name>
  <description>N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide is a chemical compound with the formula C31H46N4O4. With an average molecular weight of 538.70 g/mol, N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>42270</pubchem-id>
  <chemical-formula>C31H46N4O4</chemical-formula>
  <weight>538.7</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">2026-08-31T17:38:38Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:38:38Z</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>CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)CCO)NC(=O)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C31H46N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C31H46N4O4/c1-3-15-35(16-4-2)31(38)29(32-30(37)27-9-6-5-7-10-27)25-26-11-13-28(14-12-26)39-24-8-17-33-18-20-34(21-19-33)22-23-36/h5-7,9-14,29,36H,3-4,8,15-25H2,1-2H3,(H,32,37)</moldb-inchi>
  <moldb-inchikey>AAWDYZAHTCHJFW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">538.351906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM347646</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>N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302051</sync-id>
  <structure-inchikey>AAWDYZAHTCHJFW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000000000000002180000200040000000000000000000005000200000000000000000200020020000000000000000400000000000000000800400200000000000000000000000000000000000000002400000000010000020000800000000000002001000000000000400000400000000002010000000000200000000000002000004000000080020000000000408000000800010000400000000000000000000000000000000000000018400000000000100008000000a000000000000000000000000000000000000000000000400000000000800000000220400000110000000000000000000040000000010400000001000000004000020000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������'���)���€���`�������`�������`�������(�������`�������`�������`�������(�������(�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������h��������(�������(������@(������@h�������@h�������@h�������@h�������@h��������������������������� ��(��	�	
�
����h��h��h���h���h��� ������������������������������������	���� � (��! !"h�"#h�#$h�$%h�%&amp;h���h����&amp;!h�B������������������"#$%&amp;!����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:39Z</structure-indexed-at>
</compound>
