310927 <common-name>7-(3,4-dichlorophenyl)-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-b]isoindol-7-ol</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>9974953</pubchem-id> <chemical-formula>C18H16Cl2N2O</chemical-formula> <weight>347.2</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">2026-08-29T06:39:49Z</created-at> <updated-at type="dateTime">2026-08-29T06:39:49Z</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>C1CCN2C(=NC1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)Cl)Cl)O</moldb-smiles> <moldb-formula>C18H16Cl2N2O</moldb-formula> <moldb-inchi>InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2</moldb-inchi> <moldb-inchikey>JDGHEGQYEARKKK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.0639685</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM306820</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>7-(3,4-dichlorophenyl)-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-b]isoindol-7-ol</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>Isoindoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261892</sync-id> <structure-inchikey>JDGHEGQYEARKKK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000000000000040000000008002002000000000000000000004000008000000000100000008400000000000000000000000002000000000000000000010000000000000010008000000000100104000000000020100000000000080000000000800000008000000800000000000000022000000000104000000000000000000000000000000000000000000080010200000000040000800008000000000000000002000000000004000001000000000000010000000000000000200000000000000000000000000000040000000000000002000000040080002000000000000</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�B�������������� ��������������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:11Z</structure-indexed-at> </compound>