|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8N4/c1-2-4-9(5-3-1)12-14-11-8-13-7-6-10(11)15-16-12/h1-8H
|
|
chemicalCompound:standardIn... |
SNAMXDPWMHPIQG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc(cc1)c2nnc3ccncc3n2
|
|
chemicalCompound:molecularF... |
C12 H8 N4
|
|
chemicalCompound:moleculeId |
132374
|
|
chemicalCompound:mwFreebase |
208.219
|
|
chemicalCompound:alogp |
1.818
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
51.56
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.277
|
|
chemicalCompound:acdLogD |
2.277
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
208.219
|
|
chemicalCompound:acdMostBpk... |
2.527
|
|
chemicalCompound:chemblId |
CHEMBL84019
|
|
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 |
|
