|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
|
|
chemicalCompound:standardIn... |
IXTMWRCNAAVVAI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2
|
|
chemicalCompound:molecularF... |
C19H27N3O5S2
|
|
chemicalCompound:moleculeId |
5638
|
|
chemicalCompound:mwFreebase |
441.565
|
|
chemicalCompound:alogp |
1.679
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
121.57
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.978
|
|
chemicalCompound:acdLogP |
1.381
|
|
chemicalCompound:acdLogD |
0.522
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
441.565
|
|
chemicalCompound:acdMostBpk... |
8.276
|
|
chemicalCompound:chemblId |
CHEMBL473
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DOFETILIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1999
|
|
chemicalCompound:activity |
activity:320644,
activity:754648,
activity:763438,
activity:786479,
activity:786480,
activity:801556,
activity:801557,
activity:801558,
activity:849605,
activity:849606,
activity:849607,
activity:855413,
activity:855414,
activity:855415,
activity:855416,
activity:855417,
activity:855418,
activity:855419,
activity:855420,
activity:855421,
activity:855422,
activity:855423,
activity:855424,
activity:855425,
activity:855426,
activity:855427,
activity:855428,
activity:855429,
activity:855430,
activity:855431,
activity:855432,
activity:855433,
activity:855434,
activity:855435,
activity:855436,
activity:863069,
activity:863070,
activity:863071,
activity:863072,
activity:863073,
activity:863074,
activity:869555,
activity:869556,
activity:891914,
activity:891915,
activity:891916,
activity:891917,
activity:903556,
activity:903557,
activity:903558,
activity:931374,
activity:931375,
activity:931376,
activity:931377,
activity:931378,
activity:931379,
activity:931380
|
