|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H15NO2S/c1-11(18-12-7-9-13(20-2)10-8-12)17-16(19)14-5-3-4-6-15(14)21-17/h3-10,19H,1-2H3
|
|
chemicalCompound:standardIn... |
JQNSVUIKOBFNPM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)N=C(C)c2sc3ccccc3c2O
|
|
chemicalCompound:molecularF... |
C17H15NO2S
|
|
chemicalCompound:moleculeId |
723924
|
|
chemicalCompound:mwFreebase |
297.371
|
|
chemicalCompound:alogp |
4.301
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
70.06
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.786
|
|
chemicalCompound:acdLogP |
5.041
|
|
chemicalCompound:acdLogD |
4.874
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.371
|
|
chemicalCompound:acdMostBpk... |
3.527
|
|
chemicalCompound:chemblId |
CHEMBL1300040
|
|
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:3614388,
activity:3770737,
activity:3820522,
activity:3832979,
activity:4013537,
activity:4070708,
activity:4209181,
activity:4277530,
activity:4304737,
activity:4371468,
activity:4701305,
activity:4748165,
activity:4898068,
activity:5007139,
activity:5021088,
activity:5441455,
activity:5546449,
activity:5591171,
activity:5677728,
activity:5890800,
activity:6462810,
activity:6549082,
activity:6653773,
activity:6762132,
activity:7185068,
activity:7244160,
activity:7399482,
activity:7411147
|
