|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
|
|
chemicalCompound:standardIn... |
RHAXSHUQNIEUEY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(C)nc(n1)n2nc(C)cc2OC
|
|
chemicalCompound:molecularF... |
C11H14N4O2
|
|
chemicalCompound:moleculeId |
835577
|
|
chemicalCompound:mwFreebase |
234.254
|
|
chemicalCompound:alogp |
1.994
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
62.06
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.26
|
|
chemicalCompound:acdLogD |
1.26
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
234.254
|
|
chemicalCompound:acdMostBpk... |
0.653
|
|
chemicalCompound:chemblId |
CHEMBL1411693
|
|
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:4083991,
activity:4303237,
activity:4360145,
activity:4432954,
activity:4535446,
activity:4538496,
activity:4706088,
activity:4777571,
activity:4779643,
activity:4991230,
activity:5996716,
activity:6033007,
activity:6055376,
activity:6066468,
activity:6069686,
activity:6615354
|
