|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H13FN4S/c19-14-6-8-15(9-7-14)24-18-16-17(20-11-21-18)23(12-22-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
|
|
chemicalCompound:standardIn... |
MYVLGUBXADPZJM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(Sc2ncnc3c2ncn3Cc4ccccc4)cc1
|
|
chemicalCompound:molecularF... |
C18 H13 F N4 S
|
|
chemicalCompound:moleculeId |
297736
|
|
chemicalCompound:mwFreebase |
336.386
|
|
chemicalCompound:alogp |
4.418
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
68.9
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.128
|
|
chemicalCompound:acdLogD |
3.128
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
336.386
|
|
chemicalCompound:acdMostBpk... |
1.734
|
|
chemicalCompound:chemblId |
CHEMBL179768
|
|
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:1408909,
activity:1408910,
activity:1408911,
activity:1408912,
activity:1408913,
activity:1409009,
activity:1409010,
activity:1409011,
activity:1409012,
activity:1409013,
activity:1409014,
activity:1409015,
activity:1409016,
activity:1409017,
activity:1409018
|
