<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341564</id>
  <title nil="true"/>
  <common-name>[2-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]propyl] acetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>341865</pubchem-id>
  <chemical-formula>C25H22N2O8</chemical-formula>
  <weight>478.4</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">2026-08-31T02:05:11Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:05:11Z</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>CC(=O)OCC(CN1C(=O)C2=CC=CC=C2C1=O)(CN3C(=O)C4=CC=CC=C4C3=O)COC(=O)C</moldb-smiles>
  <moldb-formula>C25H22N2O8</moldb-formula>
  <moldb-inchi>InChI=1S/C25H22N2O8/c1-15(28)34-13-25(14-35-16(2)29,11-26-21(30)17-7-3-4-8-18(17)22(26)31)12-27-23(32)19-9-5-6-10-20(19)24(27)33/h3-10H,11-14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>XMVDRTLPWWRNNW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">478.1376157</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</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>CHEM337457</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>[2-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]propyl] acetate</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>Isoindoles and derivatives</klass>
  <subklass>Isoindolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291962</sync-id>
  <structure-inchikey>XMVDRTLPWWRNNW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000010000000000000000020000000000000000000000020000000008000000000000000000000000000000001000000000000000000000000080000000000002020000000000100000000000000000000000002010000000002000008010000000000000100000000000080000000400010000040000000800000000000000000000000000100040000000000000000000000000000000000000000080000000000000000000000000400000000000000000000000000000000000000800000000000000000000000000200000000000000100000000000000040000000000480000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7016c20085128e6081405b648138a2001900140281052010803d60408220484d64220050138000000100410800c00000056022a5c08c322101ee657980a04000c7110c881290140000901060127203000844c58151211f3342040d62402259040c28852f014c322060088480ddb40044308680528135e1063118246042510006104410194ef8820808060250c82c0288391c981244429e8ad0240ca060c0848411d3101300b3d22202060968057c35144ac00406a943084018b04a104cc00212a01000a404d8023319800484571142910e050010030470200d6022842a0003009138493418810120110804015112a0820850063094c2040e1100908052800846</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���&amp;���€���`�������(�������(�������(�������`������� ������`�������(�������(�������(������@(������@h�������@h�������@h�������@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">2026-09-19T05:41:28Z</structure-indexed-at>
</compound>
