<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">340246</id>
  <title nil="true"/>
  <common-name>1-(4-bromophenyl)-3-[3-[4-[3-[(4-bromophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea</common-name>
  <description>1-(4-bromophenyl)-3-[3-[4-[3-[(4-bromophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea is a chemical compound with the formula C24H32Br2N6O2. With an average molecular weight of 596.40 g/mol, 1-(4-bromophenyl)-3-[3-[4-[3-[(4-bromophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea is a heavy molecule.</description>
  <cas>55291-05-9</cas>
  <pubchem-id>96934</pubchem-id>
  <chemical-formula>C24H32Br2N6O2</chemical-formula>
  <weight>596.4</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">2026-08-30T23:45:41Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:45:41Z</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>C1CN(CCN1CCCNC(=O)NC2=CC=C(C=C2)Br)CCCNC(=O)NC3=CC=C(C=C3)Br</moldb-smiles>
  <moldb-formula>C24H32Br2N6O2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H32Br2N6O2/c25-19-3-7-21(8-4-19)29-23(33)27-11-1-13-31-15-17-32(18-16-31)14-2-12-28-24(34)30-22-9-5-20(26)6-10-22/h3-10H,1-2,11-18H2,(H2,27,29,33)(H2,28,30,34)</moldb-inchi>
  <moldb-inchikey>NPEOEWIHBHMVES-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">594.09535</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM336139</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-(4-bromophenyl)-3-[3-[4-[3-[(4-bromophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea</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>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290661</sync-id>
  <structure-inchikey>NPEOEWIHBHMVES-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000010400000000000000000000000000008000000000000000000000000000400000000000000000000000000000000000000000000000000000002400100000000000000080000000000000000001000000001000000000000000040002010000000000000000000000000000000000040000000000000000408400000000000000000000000000000000000000000000000000000208000000000000000000000000a000000000000000000000000000000000000100004000000000000000000000000200000000010000008000000000000048000000010400000000000000000600000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:40:34Z</structure-indexed-at>
</compound>
