86149 <common-name>7-Chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate</common-name> <description>7-Chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate is an organic compound with the formula C17H13ClN2O3 and an average molecular weight of 328.75 g/mol. 7-Chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. This substance acts as a ligand and positive allosteric modulator for 16 recorded protein targets. These targets include the Gamma-aminobutyric acid receptor subunit pi (GABRP), Gamma-aminobutyric acid receptor subunit delta (GABRD), Gamma-aminobutyric acid receptor subunit alpha-1 (GABRA1), and Gamma-aminobutyric acid receptor subunit beta-1 (GABRB1), as well as 12 other proteins.</description> <cas>1824-74-4</cas> <pubchem-id>102697</pubchem-id> <chemical-formula>C17H13ClN2O3</chemical-formula> <weight>328.7</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">2026-04-04T21:14:51Z</created-at> <updated-at type="dateTime">2026-08-19T18:27:07Z</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>DB14672</drugbank-id> <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)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N=C1O</moldb-smiles> <moldb-formula>C17H13ClN2O3</moldb-formula> <moldb-inchi>InChI=1/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)</moldb-inchi> <moldb-inchikey>FYRWUTOZBRWYCS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">328.75</moldb-average-mass> <moldb-mono-mass type="decimal">328.06147</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.36</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>CHEM082042</chemdb-id> <dsstox-id>DTXSID40939582</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046417</susdat-id> <iupac>7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0134249</sync-id> <structure-inchikey>FYRWUTOZBRWYCS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000050000000000008000000000000000000000000000000000800000200401000000000080000000002000000000400000000040000000800000000000002000000000010000000800800000000000000001008000001000000010000000000001000000000000000000000050001000004000000080000000020000000080000000010000800000000000000000000000000000000000000008000000000000000000200000000000000000000000000010000000a004000008001000000010000000000000000200000000000000000000000000000040000000000400000000000000000000400000000000</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�B�������� ����� �������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:42Z</structure-indexed-at> </compound>