20968 <common-name>Tipranavir</common-name> <description nil="true"/> <cas>174484-41-4</cas> <pubchem-id>54682461</pubchem-id> <chemical-formula>C31H33F3N2O5S</chemical-formula> <weight>602.7</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">2016-05-22T06:35:40Z</created-at> <updated-at type="dateTime">2026-08-22T10:34:30Z</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>DB00932</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@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O</moldb-smiles> <moldb-formula>C31H33F3N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1</moldb-inchi> <moldb-inchikey>SUJUHGSWHZTSEU-FYBSXPHGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">602.664</moldb-average-mass> <moldb-mono-mass type="decimal">602.206227481</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.14</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>58539</chemspider-id> <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>CHEM019863</chemdb-id> <dsstox-id>DTXSID6048622</dsstox-id> <toxcast-id>48622</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015496</susdat-id> <iupac>N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide</iupac> <moldb-polar-surface-area>105.59000000000002</moldb-polar-surface-area> <moldb-refractivity>154.57229999999998</moldb-refractivity> <moldb-polarizability>60.87059918173141</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>5.918154102500655</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.306793686893402</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>6.29</moldb-alogps-logp> <moldb-alogps-logs>-6.47</moldb-alogps-logs> <moldb-alogps-solubility>2.05e-04 g/l</moldb-alogps-solubility> </compound>