<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347709</id>
  <title nil="true"/>
  <common-name>[1-[(e)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate</common-name>
  <description>[1-[(e)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate is a chemical compound with the formula C28H23N3O5. It has an average molecular weight of 481.50 g/mol.</description>
  <cas>764672-28-8</cas>
  <pubchem-id>45055335</pubchem-id>
  <chemical-formula>C28H23N3O5</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">2026-08-31T11:30:52Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:30:52Z</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>CC1=CC(=CC=C1)NC(=O)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC</moldb-smiles>
  <moldb-formula>C28H23N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C28H23N3O5/c1-18-6-5-8-21(16-18)30-26(32)27(33)31-29-17-24-23-9-4-3-7-19(23)12-15-25(24)36-28(34)20-10-13-22(35-2)14-11-20/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+</moldb-inchi>
  <moldb-inchikey>HRUQYBJSTWOWFV-STBIYBPSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">481.1637708</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM343602</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-[(e)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate</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>CED0298047</sync-id>
  <structure-inchikey>HRUQYBJSTWOWFV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000040000000008100100800000000000000000000000202200000024000000000000000000040000000000000000000000000000000000000000002000000000020000000000301000204000000000000040000010000010040000080100000000000080000000000000000000004000001000140000001800180000000000080000000000100200000000000000000000000000200000000040000086000000000000000000000000000008000000080000000040100000000000000000000000000004000002040000280002000000000008100000001001040000000000400000000000020000000000000000000</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���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">2026-09-19T05:46:16Z</structure-indexed-at>
</compound>
