|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H8N6O/c1-15-6-2-3-11-4-5(6)12-9(15)7-8(10)14-16-13-7/h2-4H,1H3,(H2,10,14)
|
|
chemicalCompound:standardIn... |
OHBDLKLACOYJNL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cn1c(nc2cnccc12)c3nonc3N
|
|
chemicalCompound:molecularF... |
C9H8N6O
|
|
chemicalCompound:moleculeId |
314933
|
|
chemicalCompound:mwFreebase |
216.199
|
|
chemicalCompound:alogp |
0.351
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
95.65
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.01
|
|
chemicalCompound:acdLogD |
0.01
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
216.199
|
|
chemicalCompound:acdMostBpk... |
2.868
|
|
chemicalCompound:chemblId |
CHEMBL188048
|
|
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:1475806,
activity:7314331,
activity:8062257,
activity:8062258,
activity:8062259,
activity:8062260,
activity:8062261,
activity:8062262,
activity:8062263,
activity:8062264,
activity:8062265,
activity:8062266,
activity:8062267,
activity:8062268,
activity:8062269,
activity:8062270,
activity:8062271,
activity:8062272,
activity:8062273,
activity:8062274,
activity:8062275,
activity:8062276,
activity:8062277,
activity:8062278,
activity:8062279,
activity:8062280,
activity:8062281,
activity:8062282,
activity:8062283,
activity:8062284,
activity:8062285,
activity:8062286,
activity:8062287,
activity:8062288,
activity:8062289,
activity:8062290,
activity:8062291,
activity:8062292,
activity:8062293,
activity:8062294,
activity:8062295,
activity:8062296,
activity:8062297,
activity:8062298,
activity:8062299,
activity:8062300,
activity:8062301,
activity:8062302,
activity:8062303,
activity:8062304,
activity:8062305,
activity:8062306,
activity:8062307,
activity:8062308,
activity:8062309,
activity:8062310,
activity:8062311,
activity:8062312,
activity:8062313,
activity:8062314,
activity:8062315,
activity:8062316,
activity:8062317,
activity:8062318,
activity:8062319,
activity:8062320,
activity:8062321
|
