|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
|
|
chemicalCompound:standardIn... |
PXXJHWLDUBFPOL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NC(=N)c1ccccc1
|
|
chemicalCompound:molecularF... |
C7H8N2
|
|
chemicalCompound:moleculeId |
24804
|
|
chemicalCompound:mwFreebase |
120.152
|
|
chemicalCompound:alogp |
0.886
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.87
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.887
|
|
chemicalCompound:acdLogD |
-1.111
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
120.152
|
|
chemicalCompound:acdMostBpk... |
11.6
|
|
chemicalCompound:chemblId |
CHEMBL20936
|
|
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:prefName |
BENZAMIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:321866,
activity:321867,
activity:342031,
activity:342032,
activity:342033,
activity:571997,
activity:571998,
activity:935188,
activity:935189,
activity:935190,
activity:938516,
activity:938517,
activity:944980,
activity:944981,
activity:1038364,
activity:1058864,
activity:1058865,
activity:1058866,
activity:1058867,
activity:1058868,
activity:1184525,
activity:1198873,
activity:1451921,
activity:2011269,
activity:2011270,
activity:2011271,
activity:2011272,
activity:2011273,
activity:2011275,
activity:2011276,
activity:2011277,
activity:2011278,
activity:4388259,
activity:4583922,
activity:5736689,
activity:6000518,
activity:6008023,
activity:6055188,
activity:6066812,
activity:6069959,
activity:6875775
|
