19650 <common-name>Mizoribine</common-name> <description nil="true"/> <cas>50924-49-7</cas> <pubchem-id>104762</pubchem-id> <chemical-formula>C9H13N3O6</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">2016-05-22T05:19:43Z</created-at> <updated-at type="dateTime">2026-05-14T19:23:44Z</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>DB12617</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>NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C9H13N3O6</moldb-formula> <moldb-inchi>InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1</moldb-inchi> <moldb-inchikey>HZQDCMWJEBCWBR-UUOKFMHZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">259.216</moldb-average-mass> <moldb-mono-mass type="decimal">259.080435163</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-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>CHEM018545</chemdb-id> <dsstox-id>DTXSID8045777</dsstox-id> <toxcast-id>45777</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069262</susdat-id> <iupac>1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1H-imidazole-4-carboxamide</iupac> <moldb-polar-surface-area>151.05999999999997</moldb-polar-surface-area> <moldb-refractivity>55.5497</moldb-refractivity> <moldb-polarizability>23.57644476587062</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>8.186374802615434</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.7698727106545347</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.31</moldb-alogps-logp> <moldb-alogps-logs>-0.86</moldb-alogps-logs> <moldb-alogps-solubility>3.61e+01 g/l</moldb-alogps-solubility> </compound>