20919 <common-name>Piragliatin</common-name> <description nil="true"/> <cas>625114-41-2</cas> <pubchem-id>10432339</pubchem-id> <chemical-formula>C19H20ClN3O4S</chemical-formula> <weight>421.9</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">2016-05-22T06:31:58Z</created-at> <updated-at type="dateTime">2026-08-20T02:47:20Z</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>DB20515</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@](C[C@@]1([H])CCC(=O)C1)(C(O)=NC1=CN=CC=N1)C1=CC(Cl)=C(C=C1)S(C)(=O)=O</moldb-smiles> <moldb-formula>C19H20ClN3O4S</moldb-formula> <moldb-inchi>InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1</moldb-inchi> <moldb-inchikey>XEANIURBPHCHMG-SWLSCSKDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">421.9</moldb-average-mass> <moldb-mono-mass type="decimal">421.086305</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM019814</chemdb-id> <dsstox-id>DTXSID3048520</dsstox-id> <toxcast-id>48520</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-pyrazin-2-ylpropanamide</iupac> <moldb-polar-surface-area>109.57999999999998</moldb-polar-surface-area> <moldb-refractivity>107.57239999999997</moldb-refractivity> <moldb-polarizability>41.85901099140676</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.748089280506306</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.6265351580946249</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.99</moldb-alogps-logp> <moldb-alogps-logs>-4.22</moldb-alogps-logs> <moldb-alogps-solubility>2.54e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylacetamides</subklass> <paper-count type="integer">94</paper-count> <sync-id>CED0020919</sync-id> </compound>