|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12FN3S/c17-12-6-4-11(5-7-12)15-14(13-3-1-2-8-18-13)19-16-20(15)9-10-21-16/h1-8H,9-10H2
|
|
chemicalCompound:standardIn... |
SNCRNESYWIOWPY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2c(nc3SCCn23)c4ccccn4
|
|
chemicalCompound:molecularF... |
C16H12FN3S
|
|
chemicalCompound:moleculeId |
255
|
|
chemicalCompound:mwFreebase |
297.35
|
|
chemicalCompound:alogp |
4.065
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
56.01
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.571
|
|
chemicalCompound:acdLogD |
3.571
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.35
|
|
chemicalCompound:acdMostBpk... |
2.822
|
|
chemicalCompound:chemblId |
CHEMBL266706
|
|
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 |
|
