346194 <common-name>8-chloro-5-(4-methylpiperazin-1-yl)-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine</common-name> <description>8-chloro-5-(4-methylpiperazin-1-yl)-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is a chemical compound with the formula C27H25ClN6. It has an average molecular weight of 469.00 g/mol.</description> <cas>153901-59-8</cas> <pubchem-id>3073966</pubchem-id> <chemical-formula>C27H25ClN6</chemical-formula> <weight>469</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">2026-08-31T09:34:25Z</created-at> <updated-at type="dateTime">2026-08-31T09:34:25Z</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=CC3=NN=C(N3C4=C(N2C5=CC=CC=C5)C=C(C=C4)Cl)C6=CC=CC=C6</moldb-smiles> <moldb-formula>C27H25ClN6</moldb-formula> <moldb-inchi>InChI=1S/C27H25ClN6/c1-31-14-16-32(17-15-31)26-19-25-29-30-27(20-8-4-2-5-9-20)34(25)23-13-12-21(28)18-24(23)33(26)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3</moldb-inchi> <moldb-inchikey>NIPMNJWULPSMPJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">468.1829225</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM342087</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-5-(4-methylpiperazin-1-yl)-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296547</sync-id> <structure-inchikey>NIPMNJWULPSMPJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20080000000010000080000000000000000002440000000010080000000000000000000000000000000000000002004000100000000000000000000200000000000040000400000000000000000000000000000000000000000008000000000000000000080000000000000300000000000020100000000000000000000000000004040000000800000000000204000880080010100002000080040000000000100000000000000000000080000000000000000000000008000000800000000000000000000100000000000000000000012000400002000000200000000000000000040000000000040000000001000000000000000000040000000000040</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���h���h���h���h������ ��h���h���h�� h� !h������ h���h���h�!�h�B����������������� � �������������������� !�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:00Z</structure-indexed-at> </compound>