346457 <common-name>11-[2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-6-one</common-name> <description>11-[2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-6-one is a chemical compound with the formula C27H27N5O2. It has an average molecular weight of 453.50 g/mol.</description> <cas>69628-34-8</cas> <pubchem-id>6446989</pubchem-id> <chemical-formula>C27H27N5O2</chemical-formula> <weight>453.5</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">2026-08-31T09:54:34Z</created-at> <updated-at type="dateTime">2026-08-31T09:54:34Z</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>C1CN(CCN1CC=CC2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5</moldb-smiles> <moldb-formula>C27H27N5O2</moldb-formula> <moldb-inchi>InChI=1S/C27H27N5O2/c33-25(20-31-18-16-30(17-19-31)15-7-10-21-8-2-1-3-9-21)32-24-13-5-4-11-22(24)27(34)29-23-12-6-14-28-26(23)32/h1-14H,15-20H2,(H,29,34)/b10-7+</moldb-inchi> <moldb-inchikey>WDYOLFBUUJYHSP-JXMROGBWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">453.2164751</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM342350</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>11-[2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-6-one</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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296810</sync-id> <structure-inchikey>WDYOLFBUUJYHSP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>208000080000002000000000000000000000000000000000000400000000200000000080000020040000000020000080040000000000000001002000000080000000000000000000200000000002000000000000000000000000000100000010000000000a0000000000020100000000000080000040800000100008000000c0000020000000004000000000010000000000000000000000010000c000000000480000080000000000020008080002008000210000000000000000000000000000000000010040000000000000000000000200000000010000000000000000002040000000000400000000000000020000000000804000</structure-fingerprint> 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