|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3
|
|
chemicalCompound:standardIn... |
VLSDXINSOMDCBK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)C(=O)N=NC(=O)N(C)C
|
|
chemicalCompound:molecularF... |
C6H12N4O2
|
|
chemicalCompound:moleculeId |
762784
|
|
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 |
CHEMBL1338900
|
|
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:4313903,
activity:4665715,
activity:5415756,
activity:5542855,
activity:5696162,
activity:5879137,
activity:5971099,
activity:6449292,
activity:6916797,
activity:7042776,
activity:7129080
|
