321099 <common-name>4-(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine</common-name> <description>4-(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine is a chemical compound with the formula C20H18ClN5O. It has an average molecular weight of 379.80 g/mol.</description> <cas>153901-52-1</cas> <pubchem-id>3073961</pubchem-id> <chemical-formula>C20H18ClN5O</chemical-formula> <weight>379.8</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">2026-08-29T20:21:15Z</created-at> <updated-at type="dateTime">2026-08-29T20:21:15Z</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>C1COCCN1C2=CC3=NN=CN3C4=C(N2C5=CC=CC=C5)C=C(C=C4)Cl</moldb-smiles> <moldb-formula>C20H18ClN5O</moldb-formula> <moldb-inchi>InChI=1S/C20H18ClN5O/c21-15-6-7-17-18(12-15)26(16-4-2-1-3-5-16)20(24-8-10-27-11-9-24)13-19-23-22-14-25(17)19/h1-7,12-14H,8-11H2</moldb-inchi> <moldb-inchikey>QYASTOGXBCCVSC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">379.1199879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM316992</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>4-(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine</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>Triazolodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0271822</sync-id> <structure-inchikey>QYASTOGXBCCVSC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000010000080000000000000000002440000000000080000000000000004000000000000000000000002004000100000000000000000000000000001000000000480000000000000000000000800000000000000000000000000000000000000080000001000000300000000000020900020000000000000022000000004000000000800000010040000000080080000100000000000000080000000100000000000000000000080000040000000040000000008000000000000000000000000000100000000000000000000012000400000000000200000000000000000040000002000040000000001000000000000000000000000000000040</structure-fingerprint> 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