|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H9N3O2S3/c1-4-5-6(10(2)8-4)14-7(13-3)9-15(5,11)12/h1-3H3
|
|
chemicalCompound:standardIn... |
KEFXWJITMPPIKH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CSC1=NS(=O)(=O)c2c(C)nn(C)c2S1
|
|
chemicalCompound:molecularF... |
C7H9N3O2S3
|
|
chemicalCompound:moleculeId |
927845
|
|
chemicalCompound:mwFreebase |
263.36
|
|
chemicalCompound:alogp |
1.35
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
123.3
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.456
|
|
chemicalCompound:acdLogD |
0.456
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
263.36
|
|
chemicalCompound:chemblId |
CHEMBL1503961
|
|
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:3717388,
activity:3775883,
activity:3790434,
activity:3928751,
activity:4046904,
activity:4069001,
activity:4086978,
activity:4318430,
activity:4382420,
activity:4504767,
activity:4588156,
activity:4608414,
activity:4803047,
activity:4826684,
activity:5356754,
activity:5500189,
activity:5541971,
activity:5685044,
activity:5694706,
activity:5797659,
activity:6432311,
activity:6462470,
activity:6664195,
activity:6793357,
activity:6862569,
activity:6897831,
activity:7418082
|
