|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H9NO2S/c1-6-11-8(5-14-6)7-2-3-9(12)10(13)4-7/h2-5,12-13H,1H3
|
|
chemicalCompound:standardIn... |
NAJCJNKRIQETEO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nc(cs1)c2ccc(O)c(O)c2
|
|
chemicalCompound:molecularF... |
C10H9NO2S
|
|
chemicalCompound:moleculeId |
470098
|
|
chemicalCompound:mwFreebase |
207.249
|
|
chemicalCompound:alogp |
2.009
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
81.59
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.739
|
|
chemicalCompound:acdLogP |
0.403
|
|
chemicalCompound:acdLogD |
0.356
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
207.249
|
|
chemicalCompound:acdMostBpk... |
2.475
|
|
chemicalCompound:chemblId |
CHEMBL495123
|
|
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:2363672,
activity:2363673,
activity:2363674,
activity:2363675,
activity:2363676,
activity:2363677,
activity:2363678,
activity:2363679,
activity:2363680,
activity:2363681,
activity:2363682,
activity:2363891,
activity:2983248,
activity:2983253,
activity:2983256,
activity:2983260,
activity:2983262,
activity:2983265,
activity:3246002,
activity:3246003,
activity:3246004,
activity:3692242,
activity:3717745,
activity:3763986,
activity:3921646,
activity:4048805,
activity:4087293,
activity:4151876,
activity:4291079,
activity:4319424,
activity:4356787,
activity:4382611,
activity:4418561,
activity:4473757,
activity:4535550,
activity:4608532,
activity:4682935,
activity:4756460,
activity:4779576,
activity:4779711,
activity:4880120,
activity:4930273,
activity:5000490,
activity:5021832,
activity:5031302,
activity:5355222,
activity:5589326,
activity:5682346,
activity:5694756,
activity:5865277,
activity:5880258,
activity:6630279
|
