|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H9FN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
|
|
chemicalCompound:standardIn... |
AMIPLHDODVPLEL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1c2SCCc2nn1c3ccc(F)cc3
|
|
chemicalCompound:molecularF... |
C11 H9 F N2 O S
|
|
chemicalCompound:moleculeId |
139987
|
|
chemicalCompound:mwFreebase |
236.265
|
|
chemicalCompound:alogp |
2.903
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
63.35
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.425
|
|
chemicalCompound:acdLogP |
1.085
|
|
chemicalCompound:acdLogD |
0.788
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
236.265
|
|
chemicalCompound:acdMostBpk... |
2.821
|
|
chemicalCompound:chemblId |
CHEMBL86990
|
|
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:285925,
activity:285926,
activity:285927,
activity:285928,
activity:285929,
activity:285930,
activity:285931,
activity:285932,
activity:285933,
activity:285934,
activity:285935,
activity:285936,
activity:285937
|
