<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350502</id>
  <title nil="true"/>
  <common-name>2-n,6-n,10-n-tris(4-bromophenyl)-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>211564</pubchem-id>
  <chemical-formula>C30H30Br3N7O3</chemical-formula>
  <weight>776.3</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">2026-08-31T15:36:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:36:39Z</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(C2CCN(C3N2C1N(CC3)C(=O)NC4=CC=C(C=C4)Br)C(=O)NC5=CC=C(C=C5)Br)C(=O)NC6=CC=C(C=C6)Br</moldb-smiles>
  <moldb-formula>C30H30Br3N7O3</moldb-formula>
  <moldb-inchi>InChI=1S/C30H30Br3N7O3/c31-19-1-7-22(8-2-19)34-28(41)37-16-13-26-39(30(43)36-24-11-5-21(33)6-12-24)18-15-27-38(17-14-25(37)40(26)27)29(42)35-23-9-3-20(32)4-10-23/h1-12,25-27H,13-18H2,(H,34,41)(H,35,42)(H,36,43)</moldb-inchi>
  <moldb-inchikey>CNGWIOJMLNVHKO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">772.99603</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM346395</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>2-n,6-n,10-n-tris(4-bromophenyl)-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide</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>CED0300807</sync-id>
  <structure-inchikey>CNGWIOJMLNVHKO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>21000000000000000000000000000000000000100000020000020000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000020000000000000000000800000000000000000010000000010000000000000000400030100000000000000000000100000000000000400000000000000000084000000000000000000000000000000000000000004000000000010080001000000000000000000008000000000100400000000000000000000000100004000000040000000000000000200000000000000008000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������+���0���€���`�������`�������(�������`�������`�������`�������(�������`������� ������`�������(�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������#� ������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������#� ������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������#� ������������������������������	�	
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���������������%&amp;'()$����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:29Z</structure-indexed-at>
</compound>
