|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
|
|
chemicalCompound:standardIn... |
YXIWHUQXZSMYRE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Sc1nc2ccccc2s1
|
|
chemicalCompound:molecularF... |
C7H5NS2
|
|
chemicalCompound:moleculeId |
182886
|
|
chemicalCompound:mwFreebase |
167.251
|
|
chemicalCompound:alogp |
2.815
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
79.92
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.41
|
|
chemicalCompound:acdLogD |
0.071
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
167.251
|
|
chemicalCompound:acdMostBpk... |
6.513
|
|
chemicalCompound:chemblId |
CHEMBL111654
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:1306640,
activity:1306641,
activity:1306642,
activity:1306643,
activity:1306644,
activity:1306645,
activity:1306646,
activity:1306647,
activity:1306648,
activity:1306649,
activity:2997857,
activity:2997880,
activity:2997892,
activity:2997893,
activity:2997894,
activity:2997895,
activity:2997896,
activity:3721725,
activity:3928414,
activity:4086793,
activity:4092555,
activity:4111820,
activity:4162102,
activity:4171049,
activity:4174192,
activity:4469485,
activity:4761188,
activity:4792579,
activity:4792908,
activity:4808372,
activity:4958631,
activity:4961461,
activity:4963324,
activity:5030710,
activity:5519509,
activity:5524719,
activity:5782629,
activity:5862750,
activity:5864812,
activity:5977218,
activity:6429480,
activity:6441688,
activity:6445282,
activity:6962343,
activity:7227901,
activity:7565934,
activity:10406345,
activity:10406381
|
