|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7NOS2/c1-9-10-6-4-2-3-5-7(6)8/h2-5H,1H3
|
|
chemicalCompound:standardIn... |
XKLCDAACRKRTLY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CSSc1cccc[n+]1[O-]
|
|
chemicalCompound:molecularF... |
C6H7NOS2
|
|
chemicalCompound:moleculeId |
556311
|
|
chemicalCompound:mwFreebase |
173.256
|
|
chemicalCompound:alogp |
1.506
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
76.06
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.434
|
|
chemicalCompound:acdLogD |
-0.434
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
173.256
|
|
chemicalCompound:chemblId |
CHEMBL538132
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:2663319,
activity:2663320,
activity:2663321,
activity:2663322,
activity:2663323,
activity:2663324,
activity:2663325,
activity:2663403,
activity:2663404,
activity:2663407,
activity:2663408,
activity:2663409,
activity:2663410,
activity:2663411,
activity:2663412,
activity:2663413,
activity:2663414,
activity:2663415,
activity:2663418,
activity:2663419,
activity:2663420,
activity:2663422,
activity:2663423,
activity:2663424,
activity:2663425,
activity:2663426,
activity:2663432,
activity:2663433,
activity:2663434,
activity:2663435,
activity:2663436,
activity:2663437,
activity:2663438,
activity:2663439,
activity:2663440,
activity:2663441,
activity:2663442,
activity:2663443,
activity:2663444
|
