rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3/b8-7+
|
chemicalCompound:standardIn... |
VLSDXINSOMDCBK-BQYQJAHWSA-N
|
chemicalCompound:canonicalS... |
CN(C)C(=O)N=NC(=O)N(C)C
|
chemicalCompound:molecularF... |
C6H12N4O2
|
chemicalCompound:moleculeId |
704816
|
chemicalCompound:mwFreebase |
172.185
|
chemicalCompound:alogp |
1.017
|
chemicalCompound:hba |
4
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
65.34
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
-0.777
|
chemicalCompound:acdLogD |
-0.777
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
172.185
|
chemicalCompound:chemblId |
CHEMBL1255835
|
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:chebiParen... |
|
chemicalCompound:activity |
activity:3472902,
activity:3806180,
activity:4045121,
activity:4179885,
activity:4358639,
activity:4507724,
activity:4715455,
activity:4856336,
activity:5178957,
activity:5178958,
activity:5178963,
activity:5178964,
activity:5178965,
activity:5571941,
activity:5724823,
activity:5760710,
activity:5775936,
activity:5779067,
activity:6432832,
activity:6797857,
activity:6844106
|