|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H7FN4/c13-9-3-1-8(2-4-9)12-15-11-7-14-6-5-10(11)16-17-12/h1-7H
|
|
chemicalCompound:standardIn... |
MTOKXMIUBZRWQT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2nnc3ccncc3n2
|
|
chemicalCompound:molecularF... |
C12 H7 F N4
|
|
chemicalCompound:moleculeId |
132775
|
|
chemicalCompound:mwFreebase |
226.209
|
|
chemicalCompound:alogp |
2.024
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
51.56
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.581
|
|
chemicalCompound:acdLogD |
2.581
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
226.209
|
|
chemicalCompound:acdMostBpk... |
2.354
|
|
chemicalCompound:chemblId |
CHEMBL82582
|
|
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 |
|
