21110 <common-name>Pranazepide</common-name> <description nil="true"/> <cas>150408-73-4</cas> <pubchem-id nil="true"/> <chemical-formula>C26H19FN4O2</chemical-formula> <weight nil="true"/> <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">2016-05-22T06:41:40Z</created-at> <updated-at type="dateTime">2026-04-15T16:52:34Z</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>DB19563</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>[H][C@]1(N=C(O)C2=CC3=CC=CC=C3N2)N=C(C2=CC=CC3=C2N(CC3)C1=O)C1=CC=CC=C1F</moldb-smiles> <moldb-formula>C26H19FN4O2</moldb-formula> <moldb-inchi>InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1</moldb-inchi> <moldb-inchikey>WKJDXKWFGJWGAS-XMMPIXPASA-N</moldb-inchikey> <moldb-average-mass type="decimal">438.462</moldb-average-mass> <moldb-mono-mass type="decimal">438.149204031</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM020005</chemdb-id> <dsstox-id>DTXSID8048785</dsstox-id> <toxcast-id>48785</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00126339</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>81.05000000000001</moldb-polar-surface-area> <moldb-refractivity>122.98899999999999</moldb-refractivity> <moldb-polarizability>46.11137019929433</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.711650330043087</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.3047081848512567</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>3.67</moldb-alogps-logp> <moldb-alogps-logs>-4.92</moldb-alogps-logs> <moldb-alogps-solubility>5.23e-03 g/l</moldb-alogps-solubility> </compound>