326151 <common-name>8-chloro-6-(2-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</common-name> <description>8-chloro-6-(2-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is a chemical compound with the formula C21H20Cl2N6. It has an average molecular weight of 427.30 g/mol.</description> <cas nil="true"/> <pubchem-id>12562535</pubchem-id> <chemical-formula>C21H20Cl2N6</chemical-formula> <weight>427.3</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">2026-08-30T04:13:34Z</created-at> <updated-at type="dateTime">2026-08-30T04:13:34Z</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>CN1CCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5Cl</moldb-smiles> <moldb-formula>C21H20Cl2N6</moldb-formula> <moldb-inchi>InChI=1S/C21H20Cl2N6/c1-27-8-10-28(11-9-27)21-26-25-19-13-24-20(15-4-2-3-5-17(15)23)16-12-14(22)6-7-18(16)29(19)21/h2-7,12H,8-11,13H2,1H3</moldb-inchi> <moldb-inchikey>NBLHWCRFGHGCRJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.1126501</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM322044</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>8-chloro-6-(2-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276775</sync-id> <structure-inchikey>NBLHWCRFGHGCRJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20080000000000000000000000008010000000400000000010080000000000000000000000000020000008002002000000100040000000000010000000000000000000000400000000000000080000000000000000000000008000000000000000000000080000010000001104000020080020100000000020280000000000000000040000000800000000000004000080000000100000000080000000000000100000000000000080400080000000000000000000000008000000800000080000000000000000000000000000800000010000002000000000200000000000000000000000000000040000000001000000000000000000040000000000000</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���h���������h�� ���h���h�B��������������� ������ ��� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:52Z</structure-indexed-at> </compound>