|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)14-9-18-10-19-15(14)21-8-7-17-11-21/h3-11H,1-2H3
|
|
chemicalCompound:standardIn... |
PQNMQNBPZGIICI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)C(=O)c1ccc(cc1)c2cncnc2n3ccnc3
|
|
chemicalCompound:molecularF... |
C16H15N5O
|
|
chemicalCompound:moleculeId |
899425
|
|
chemicalCompound:mwFreebase |
293.323
|
|
chemicalCompound:alogp |
1.192
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
63.91
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.38
|
|
chemicalCompound:acdLogD |
0.38
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
293.323
|
|
chemicalCompound:acdMostBpk... |
3.26
|
|
chemicalCompound:chemblId |
CHEMBL1475541
|
|
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:3799495,
activity:3926157,
activity:3983984,
activity:4015394,
activity:4466471,
activity:4706780,
activity:4848135,
activity:4869306,
activity:4978019,
activity:5006052,
activity:5016817,
activity:5074516,
activity:5987494,
activity:5991056,
activity:6005468,
activity:6008606,
activity:6016463,
activity:6439764
|
