|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
|
|
chemicalCompound:standardIn... |
FSQMZTBSNBWMOW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)c2nc(cs2)c3ccc(O)c(O)c3
|
|
chemicalCompound:molecularF... |
C15H11NO3S
|
|
chemicalCompound:moleculeId |
950735
|
|
chemicalCompound:mwFreebase |
285.318
|
|
chemicalCompound:alogp |
3.431
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
101.82
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.658
|
|
chemicalCompound:acdLogP |
3.001
|
|
chemicalCompound:acdLogD |
2.911
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
285.318
|
|
chemicalCompound:acdMostBpk... |
1.908
|
|
chemicalCompound:chemblId |
CHEMBL1526851
|
|
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:3626159,
activity:3675970,
activity:3684482,
activity:3686596,
activity:3704123,
activity:3773657,
activity:3779965,
activity:3877756,
activity:3920764,
activity:3924865,
activity:3946572,
activity:3950505,
activity:3983705,
activity:4022168,
activity:4076819,
activity:4143580,
activity:4204063,
activity:4295383,
activity:4305760,
activity:4327202,
activity:4356229,
activity:4362187,
activity:4418447,
activity:4462535,
activity:4517583,
activity:4523891,
activity:4558339,
activity:4605963,
activity:4620390,
activity:4633471,
activity:4693949,
activity:4743564,
activity:4763520,
activity:4808020,
activity:4824611,
activity:4843425,
activity:4849283,
activity:4879695,
activity:4934151,
activity:4934590,
activity:5021272,
activity:5372451,
activity:5411929,
activity:5498823,
activity:5502515,
activity:5505883,
activity:5536418,
activity:5553638,
activity:5571638,
activity:5628688,
activity:5662411,
activity:5677507,
activity:5681799,
activity:5751717,
activity:5823847,
activity:5851004,
activity:5933119,
activity:6510763,
activity:6624701,
activity:6782655,
activity:6900353,
activity:6974112,
activity:7003573,
activity:7021319,
activity:7074456,
activity:7183084
|
