|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9FN2OS2/c1-6-9-10(15)12(18-13(9)16-19-6)11(17)7-2-4-8(14)5-3-7/h2-5H,15H2,1H3
|
|
chemicalCompound:standardIn... |
MVDYHKVSSGAAOI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12
|
|
chemicalCompound:molecularF... |
C13H9FN2OS2
|
|
chemicalCompound:moleculeId |
808254
|
|
chemicalCompound:mwFreebase |
292.352
|
|
chemicalCompound:alogp |
3.203
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
112.46
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.432
|
|
chemicalCompound:acdLogD |
2.432
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
292.352
|
|
chemicalCompound:acdMostBpk... |
3.589
|
|
chemicalCompound:chemblId |
CHEMBL1384370
|
|
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:3775852,
activity:3814728,
activity:3858976,
activity:4278173,
activity:4380158,
activity:4588124,
activity:4590013,
activity:4610151,
activity:4728527,
activity:4935060,
activity:5513501,
activity:5668651,
activity:5918476,
activity:5977033,
activity:6454091,
activity:6676575,
activity:6755448,
activity:6822058,
activity:6910957,
activity:7079316,
activity:7387401
|
