<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">330690</id>
  <title nil="true"/>
  <common-name>3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline</common-name>
  <description>3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline is a chemical compound with the formula C22H20N4O. It has an average molecular weight of 356.40 g/mol.</description>
  <cas>96825-90-0</cas>
  <pubchem-id>13526633</pubchem-id>
  <chemical-formula>C22H20N4O</chemical-formula>
  <weight>356.4</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">2026-08-30T11:20:58Z</created-at>
  <updated-at type="dateTime">2026-08-30T11:20:58Z</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=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCCC5</moldb-smiles>
  <moldb-formula>C22H20N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C22H20N4O/c1-27-16-10-8-15(9-11-16)19-14-20-21(25-24-19)17-6-2-3-7-18(17)22(23-20)26-12-4-5-13-26/h2-3,6-11,14H,4-5,12-13H2,1H3</moldb-inchi>
  <moldb-inchikey>OEKRRNONKYUCFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.1637113</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM326583</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>3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline</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>Diazines</klass>
  <subklass>Pyridazines and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0281236</sync-id>
  <structure-inchikey>OEKRRNONKYUCFF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000004000000000000000200000000200000001000002000000100000000000000000000000000000000000000000000000000000040000000000000800100000200000000000000040000000000010040000000100000800000020100000000000800000000000800000040000000804000000000200000880000000100000000000000000000000000000000000000040000080000000080000080000000808000000000200080000000040000000000000000000000000040000000000804000200000000000000000000000001000040000000000000000000000010000002000000000000</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�	
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���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:33:11Z</structure-indexed-at>
</compound>
