<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338899</id>
  <title nil="true"/>
  <common-name>9-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione</common-name>
  <description>9-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione is a chemical compound with the formula C24H23ClN2O4. It has an average molecular weight of 438.90 g/mol.</description>
  <cas>78808-07-8</cas>
  <pubchem-id>3061198</pubchem-id>
  <chemical-formula>C24H23ClN2O4</chemical-formula>
  <weight>438.9</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">2026-08-30T22:04:13Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:04:13Z</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(=O)OC2=C1C=CC3=C2C(=O)C(CO3)CN4CCN(CC4)C5=CC=C(C=C5)Cl</moldb-smiles>
  <moldb-formula>C24H23ClN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C24H23ClN2O4/c1-15-12-21(28)31-24-19(15)6-7-20-22(24)23(29)16(14-30-20)13-26-8-10-27(11-9-26)18-4-2-17(25)3-5-18/h2-7,12,16H,8-11,13-14H2,1H3</moldb-inchi>
  <moldb-inchikey>LRGTWJUQOVNRRS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">438.1346349</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM334792</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>9-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione</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>Phenylpropanoids and polyketides</superklass>
  <klass>Coumarins and derivatives</klass>
  <subklass>Pyranocoumarins</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289325</sync-id>
  <structure-inchikey>LRGTWJUQOVNRRS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000002020800000000000040000000010000000000080004000000000080000000020000000000000000000000120000000400000000100000000400000000000400000000000000000000020808000010000000000000000002000000000000080000000000000100000000800020100000000000000000000100010000041020000000000002000000000000010000000000000000000000000000000000000000000040000080100040000000000000000008001000800000000000000000020000810000000000000000010000000002004001200000000010000000050000000000040000000400018000000000000000000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:32Z</structure-indexed-at>
</compound>
