|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H24N6O/c1-25(2)19-22-20(26-13-15-28-16-14-26)24-21(23-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
|
|
chemicalCompound:standardIn... |
KMWYDCVNXCAKNT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C21H24N6O
|
|
chemicalCompound:moleculeId |
837905
|
|
chemicalCompound:mwFreebase |
376.455
|
|
chemicalCompound:alogp |
2.976
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
57.62
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.432
|
|
chemicalCompound:acdLogD |
3.427
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
376.455
|
|
chemicalCompound:acdMostBpk... |
5.289
|
|
chemicalCompound:chemblId |
CHEMBL1414021
|
|
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 |
|
