|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H9FN4/c13-10-3-1-9(2-4-10)6-17-8-16-12-11(17)5-14-7-15-12/h1-5,7-8H,6H2/p+1
|
|
chemicalCompound:standardIn... |
HHFHQBHCANDNDB-UHFFFAOYSA-O
|
|
chemicalCompound:canonicalS... |
Fc1ccc(C[n+]2c[nH]c3ncncc23)cc1
|
|
chemicalCompound:molecularF... |
C12 H10 F N4
|
|
chemicalCompound:moleculeId |
297721
|
|
chemicalCompound:mwFreebase |
229.233
|
|
chemicalCompound:alogp |
2.76
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
45.45
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
-11.256
|
|
chemicalCompound:acdLogP |
-2.744
|
|
chemicalCompound:acdLogD |
-2.744
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
229.233
|
|
chemicalCompound:chemblId |
CHEMBL179515
|
|
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:1407562,
activity:1407563,
activity:1407564,
activity:1407565,
activity:1407566,
activity:1407567,
activity:1407568,
activity:1407569,
activity:1407570,
activity:1407571,
activity:1407572,
activity:1407573,
activity:1407574,
activity:1407575,
activity:1407576
|
