|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H13N5/c1-19(2)11-5-3-10(4-6-11)14-16-13-9-15-8-7-12(13)17-18-14/h3-9H,1-2H3
|
|
chemicalCompound:standardIn... |
VMCOUAAPOBDSCN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(cc1)c2nnc3ccncc3n2
|
|
chemicalCompound:molecularF... |
C14 H13 N5
|
|
chemicalCompound:moleculeId |
132652
|
|
chemicalCompound:mwFreebase |
251.287
|
|
chemicalCompound:alogp |
1.98
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
54.8
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.839
|
|
chemicalCompound:acdLogD |
1.839
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
251.287
|
|
chemicalCompound:acdMostBpk... |
2.754
|
|
chemicalCompound:chemblId |
CHEMBL309210
|
|
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 |
|
