<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351226</id>
  <title nil="true"/>
  <common-name>(e)-3-(2-methoxyphenyl)-1-[2-[(2-phenyl-1h-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one</common-name>
  <description>(e)-3-(2-methoxyphenyl)-1-[2-[(2-phenyl-1h-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one is a chemical compound with the formula C31H24N2O2. It has an average molecular weight of 456.50 g/mol.</description>
  <cas>133381-44-9</cas>
  <pubchem-id>135612694</pubchem-id>
  <chemical-formula>C31H24N2O2</chemical-formula>
  <weight>456.5</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">2026-08-31T16:48:30Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:48:30Z</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>COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C31H24N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C31H24N2O2/c1-35-30-18-10-5-11-22(30)19-20-29(34)25-15-7-8-16-27(25)32-21-26-24-14-6-9-17-28(24)33-31(26)23-12-3-2-4-13-23/h2-21,33H,1H3/b20-19+,32-21?</moldb-inchi>
  <moldb-inchikey>NSIKQXFBRMUWAQ-CIHCHXLVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">456.183778</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM347119</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>(e)-3-(2-methoxyphenyl)-1-[2-[(2-phenyl-1h-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one</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"/>
  <sync-id>CED0301526</sync-id>
  <structure-inchikey>NSIKQXFBRMUWAQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2001000000000000000000000100000000100010000000000000000000400000000000000000000000020000000004000000000080400000008000000100000000008000000000000000000000000020840000000300000004008000000000000000010000001040000080000000000000040000000840000000000000000000000040000000800000200000000000800000000100000000000040000000000010000000000000040000280000002000000001000000000000000000000080000000040000000000000000000000100000000000000000004200000001004000004000000000000040000000000404004000000020000100000000000000</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�������@(������@(������@8�������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@h������������ ��h���h���h���h���h��� �	(�	
 
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� �h��h���h���h���h��� ��(��� ��h���h���h���h���h���h���h���h��� ��h���h�� h� !h�!"h���h���h���h���h�"�h�B��������������������������������� !"�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:09Z</structure-indexed-at>
</compound>
