<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346466</id>
  <title nil="true"/>
  <common-name>4-tert-butyl-n-[4-[[(e)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]benzamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>9671767</pubchem-id>
  <chemical-formula>C27H27N7O2</chemical-formula>
  <weight>481.5</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">2026-08-31T09:55:24Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:55:24Z</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>CC(=NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)N4C=NN=N4</moldb-smiles>
  <moldb-formula>C27H27N7O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H27N7O2/c1-18(19-9-15-24(16-10-19)34-17-28-32-33-34)30-31-26(36)21-7-13-23(14-8-21)29-25(35)20-5-11-22(12-6-20)27(2,3)4/h5-17H,1-4H3,(H,29,35)(H,31,36)/b30-18+</moldb-inchi>
  <moldb-inchikey>KOSFAYGYVYJGAD-UXHLAJHPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">481.2226231</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM342359</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>4-tert-butyl-n-[4-[[(e)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
</compound>
