|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H10O4S2/c13-9-5-1-3-7-11(9)17(15)18(16)12-8-4-2-6-10(12)14/h1-8,13-14H
|
|
chemicalCompound:standardIn... |
LIAWNNIXDQVCJS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccccc1[S+]([O-])[S+]([O-])c2ccccc2O
|
|
chemicalCompound:molecularF... |
C12H10O4S2
|
|
chemicalCompound:moleculeId |
198419
|
|
chemicalCompound:mwFreebase |
282.335
|
|
chemicalCompound:alogp |
2.466
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
113.02
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
-17.843
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
282.335
|
|
chemicalCompound:chemblId |
CHEMBL119878
|
|
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:681358,
activity:681359,
activity:5374709,
activity:5503496,
activity:6439436,
activity:6612099,
activity:6749295,
activity:6758195,
activity:6797295,
activity:6860953,
activity:6966371,
activity:7048163,
activity:7066651,
activity:7071068,
activity:7254997,
activity:7464715
|
