|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H16N6O2/c13-9-10-14-11(17-1-5-19-6-2-17)16-12(15-10)18-3-7-20-8-4-18/h1-8H2
|
|
chemicalCompound:standardIn... |
CKVMWRXMHJHOBH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N#Cc1nc(nc(n1)N2CCOCC2)N3CCOCC3
|
|
chemicalCompound:molecularF... |
C12H16N6O2
|
|
chemicalCompound:moleculeId |
745525
|
|
chemicalCompound:mwFreebase |
276.294
|
|
chemicalCompound:alogp |
-0.572
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
87.4
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0
|
|
chemicalCompound:acdLogD |
0
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
276.294
|
|
chemicalCompound:acdMostBpk... |
4.358
|
|
chemicalCompound:chemblId |
CHEMBL1321641
|
|
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 |
|
