|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H14N2OS2/c1-2-21-16-17-14(10-12-8-9-20-11-12)15(19)18(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3/b14-10+
|
|
chemicalCompound:standardIn... |
HRCAXSXXTRSEEO-GXDHUFHOSA-N
|
|
chemicalCompound:canonicalS... |
CCSC1=N\C(=C\c2ccsc2)\C(=O)N1c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H14N2OS2
|
|
chemicalCompound:moleculeId |
979387
|
|
chemicalCompound:mwFreebase |
314.425
|
|
chemicalCompound:alogp |
3.996
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
86.21
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.236
|
|
chemicalCompound:acdLogD |
3.236
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.425
|
|
chemicalCompound:chemblId |
CHEMBL1555503
|
|
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:3630457,
activity:3701175,
activity:3811256,
activity:3926510,
activity:4129919,
activity:4603377,
activity:5334616,
activity:5684925,
activity:5804247,
activity:5966687,
activity:6566327,
activity:6712622,
activity:7304970
|
