|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H6N2O2S/c16-10-7-3-1-2-4-8(7)11(17)12-9(10)15-6-5-14-13(15)18-12/h1-6H
|
|
chemicalCompound:standardIn... |
YBHWOUUQQYMEID-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1c2ccccc2C(=O)c3c1sc4nccn34
|
|
chemicalCompound:molecularF... |
C13 H6 N2 O2 S
|
|
chemicalCompound:moleculeId |
8904
|
|
chemicalCompound:mwFreebase |
254.264
|
|
chemicalCompound:alogp |
2
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
79.68
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.08
|
|
chemicalCompound:acdLogD |
2.08
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
254.264
|
|
chemicalCompound:acdMostBpk... |
3.113
|
|
chemicalCompound:chemblId |
CHEMBL11327
|
|
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:950357,
activity:950358,
activity:950359,
activity:950360,
activity:950361,
activity:950362,
activity:1659364,
activity:1659376,
activity:1659388,
activity:1659400,
activity:1659412,
activity:1659424,
activity:1659442,
activity:1659454,
activity:1659466,
activity:1659478,
activity:1659490
|
