|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H9NO3S2/c16-10-5-3-9(4-6-10)15-13(17)12(20-14(15)19)8-11-2-1-7-18-11/h1-8,16H/b12-8+
|
|
chemicalCompound:standardIn... |
LRLZBXRIABESDY-XYOKQWHBSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)N2C(=S)S\C(=C\c3occc3)\C2=O
|
|
chemicalCompound:molecularF... |
C14H9NO3S2
|
|
chemicalCompound:moleculeId |
962280
|
|
chemicalCompound:mwFreebase |
303.356
|
|
chemicalCompound:alogp |
3.777
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
111.07
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
10.022
|
|
chemicalCompound:acdLogP |
2.33
|
|
chemicalCompound:acdLogD |
2.323
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.356
|
|
chemicalCompound:chemblId |
CHEMBL1538396
|
|
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:3615496,
activity:3624611,
activity:3703542,
activity:3940786,
activity:3945707,
activity:4034863,
activity:4123900,
activity:4204449,
activity:4294443,
activity:4361302,
activity:4533091,
activity:4564932,
activity:4604976,
activity:4621798,
activity:4930725,
activity:5347072,
activity:5633837,
activity:5750377,
activity:5824707,
activity:5958352,
activity:5984968,
activity:6900269,
activity:7426534,
activity:7499626
|
