|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H9FN4/c1-17-7-16-11-10(14-6-15-12(11)17)8-2-4-9(13)5-3-8/h2-7H,1H3
|
|
chemicalCompound:standardIn... |
WUFIRMITARJTLC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cn1cnc2c(ncnc12)c3ccc(F)cc3
|
|
chemicalCompound:molecularF... |
C12 H9 F N4
|
|
chemicalCompound:moleculeId |
297723
|
|
chemicalCompound:mwFreebase |
228.225
|
|
chemicalCompound:alogp |
2.124
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.6
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.5
|
|
chemicalCompound:acdLogD |
1.5
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
228.225
|
|
chemicalCompound:acdMostBpk... |
2.389
|
|
chemicalCompound:chemblId |
CHEMBL539424
|
|
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:1406059,
activity:1406060,
activity:1406061,
activity:1406062,
activity:1406063,
activity:1406064,
activity:1406065,
activity:1406066,
activity:1406067,
activity:1406068,
activity:1406069,
activity:1406070,
activity:1406071,
activity:1406072,
activity:1406073
|
