|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)14-15-18-17-11(3)20(15)13-7-5-4-6-12(13)16-14/h4-8H,1-3H3
|
|
chemicalCompound:standardIn... |
SJXCOUXOHJPVAF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(C)n(n1)c2nc3ccccc3n4c(C)nnc24
|
|
chemicalCompound:molecularF... |
C15H14N6
|
|
chemicalCompound:moleculeId |
826710
|
|
chemicalCompound:mwFreebase |
278.312
|
|
chemicalCompound:alogp |
2.389
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
60.9
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1
|
|
chemicalCompound:acdLogD |
1
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
278.312
|
|
chemicalCompound:acdMostBpk... |
0.013
|
|
chemicalCompound:chemblId |
CHEMBL1402826
|
|
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 |
|
