<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">306176</id>
  <title nil="true"/>
  <common-name>6-[(e)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5h-1,6-naphthyridine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6447457</pubchem-id>
  <chemical-formula>C17H16Cl2N2</chemical-formula>
  <weight>319.2</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">2026-08-28T23:55:37Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:55:37Z</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(CC2=C1N=CC=C2)CC=CC3=C(C=C(C=C3)Cl)Cl</moldb-smiles>
  <moldb-formula>C17H16Cl2N2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H16Cl2N2/c18-15-6-5-13(16(19)11-15)4-2-9-21-10-7-17-14(12-21)3-1-8-20-17/h1-6,8,11H,7,9-10,12H2/b4-2+</moldb-inchi>
  <moldb-inchikey>NTXLKEUMBZLSKE-DUXPYHPUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">318.0690539</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM302069</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>6-[(e)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5h-1,6-naphthyridine</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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Naphthyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0257244</sync-id>
  <structure-inchikey>NTXLKEUMBZLSKE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000004000800000000000000000000401000000000080000000000000000000000000000000000002002000000000000000008000001000000000000000000000400000000000000000000000000000000201000000000004000000000000000080001000000000180000000000020100000040000000000000000000100000000000804000000000000000000000000000400000080000000000000000000000000000080000080000000000000000080000008000010000020000000000000000000000000000000000000410000008000000200200000000010000000000000000002040000000000000000028000000000008000000800000</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�B���������������	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:46Z</structure-indexed-at>
</compound>
