|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
|
|
chemicalCompound:standardIn... |
ROUFCTKIILEETD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(SSc2ccc(cn2)[N+](=O)[O-])nc1
|
|
chemicalCompound:molecularF... |
C10 H6 N4 O4 S2
|
|
chemicalCompound:moleculeId |
199051
|
|
chemicalCompound:mwFreebase |
310.309
|
|
chemicalCompound:alogp |
3.104
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
168.02
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.179
|
|
chemicalCompound:acdLogD |
3.179
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
310.309
|
|
chemicalCompound:chemblId |
CHEMBL120580
|
|
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:679872,
activity:679873,
activity:3462470,
activity:3462473,
activity:3462474,
activity:3462476,
activity:3462477,
activity:3462482,
activity:3462488,
activity:3462489,
activity:3462490,
activity:3462491,
activity:3462492,
activity:3462502,
activity:3462507,
activity:3462508,
activity:3462509
|
