|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H14N6O/c1-3-7-9-8(5-6-14-7)18(4-2)12(15-9)10-11(13)17-19-16-10/h5-6H,3-4H2,1-2H3,(H2,13,17)
|
|
chemicalCompound:standardIn... |
GMCZGAWPMLORCQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCc1nccc2c1nc(c3nonc3N)n2CC
|
|
chemicalCompound:molecularF... |
C12H14N6O
|
|
chemicalCompound:moleculeId |
314760
|
|
chemicalCompound:mwFreebase |
258.279
|
|
chemicalCompound:alogp |
1.649
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
95.65
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.244
|
|
chemicalCompound:acdLogD |
1.243
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
258.279
|
|
chemicalCompound:acdMostBpk... |
4.911
|
|
chemicalCompound:chemblId |
CHEMBL365072
|
|
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:1476220,
activity:1476221,
activity:1476222,
activity:7498007,
activity:8061207,
activity:8061208,
activity:8061209,
activity:8061210,
activity:8061211,
activity:8061212,
activity:8061213,
activity:8061214,
activity:8061215,
activity:8061216,
activity:8061217,
activity:8066143,
activity:8066144,
activity:8066145,
activity:8066146,
activity:8066147,
activity:8066148,
activity:8066149,
activity:8066150,
activity:8066151,
activity:8066152,
activity:8066153,
activity:8066154,
activity:8066155,
activity:8066156,
activity:8066157,
activity:8066158,
activity:8066159,
activity:8066160,
activity:8066161,
activity:8066162,
activity:8066163,
activity:8066164,
activity:8066165,
activity:8066166,
activity:8066167,
activity:8066168,
activity:8066169,
activity:8066170,
activity:8066171,
activity:8066172,
activity:8066173,
activity:8066174,
activity:8066175,
activity:8066176,
activity:8066177,
activity:8066178,
activity:8066179,
activity:8066180,
activity:8066181,
activity:8066182,
activity:8066183,
activity:8066184,
activity:8066185,
activity:8066186,
activity:8066187,
activity:8066188,
activity:8066189,
activity:8066190,
activity:8066191,
activity:8066192,
activity:8066193,
activity:8066194
|
