|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
|
|
chemicalCompound:standardIn... |
NVMNEWNGLGACBB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[Na+].c1nc[n-]n1
|
|
chemicalCompound:molecularF... |
C2H2N3Na
|
|
chemicalCompound:moleculeId |
801073
|
|
chemicalCompound:mwFreebase |
69.0653
|
|
chemicalCompound:alogp |
-0.41
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
41.57
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.49
|
|
chemicalCompound:acdLogP |
-0.58
|
|
chemicalCompound:acdLogD |
-0.58
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
91.0471
|
|
chemicalCompound:acdMostBpk... |
2.7
|
|
chemicalCompound:chemblId |
CHEMBL1377189
|
|
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 |
|
