|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H16N6/c1-2-5-13(6-3-1)17-18-20-11-9-19(10-12-20)14-15-7-4-8-16-14/h1-8H,9-12H2/b18-17+
|
|
chemicalCompound:standardIn... |
VSKRASZPTYBUAP-ISLYRVAYSA-N
|
|
chemicalCompound:canonicalS... |
C1CN(CCN1N=Nc2ccccc2)c3ncccn3
|
|
chemicalCompound:molecularF... |
C14H16N6
|
|
chemicalCompound:moleculeId |
568927
|
|
chemicalCompound:mwFreebase |
268.317
|
|
chemicalCompound:alogp |
1.965
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
56.98
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.695
|
|
chemicalCompound:acdLogD |
2.693
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
268.317
|
|
chemicalCompound:acdMostBpk... |
4.873
|
|
chemicalCompound:chemblId |
CHEMBL575655
|
|
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:2913447,
activity:2913493,
activity:2913551,
activity:2913609,
activity:2913667,
activity:2913725,
activity:2913783,
activity:2914213,
activity:2914304,
activity:2914364,
activity:2914966,
activity:2914991,
activity:2915016
|
