|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9N3O3S/c1-8(17)19-10-4-2-9(3-5-10)6-11-12(18)16-13(20-11)14-7-15-16/h2-7H,1H3
|
|
chemicalCompound:standardIn... |
UYQQUCAHDOTULG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Oc1ccc(C=C2Sc3ncnn3C2=O)cc1
|
|
chemicalCompound:molecularF... |
C13H9N3O3S
|
|
chemicalCompound:moleculeId |
814707
|
|
chemicalCompound:mwFreebase |
287.294
|
|
chemicalCompound:alogp |
2.014
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
99.38
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.278
|
|
chemicalCompound:acdLogD |
1.278
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
287.294
|
|
chemicalCompound:chemblId |
CHEMBL1390823
|
|
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:4068600,
activity:4181408,
activity:4440509,
activity:5714370,
activity:5814331,
activity:6683044,
activity:6835944,
activity:6959361,
activity:7078598,
activity:7223627,
activity:7424292
|
