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-FPLPWBNLSA-N
|
chemicalCompound:canonicalS... |
CN(C)C(=O)N=NC(=O)N(C)C
|
chemicalCompound:molecularF... |
C6H12N4O2
|
chemicalCompound:moleculeId |
783397
|
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 |
CHEMBL1359513
|
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:3675724,
activity:3910830,
activity:4588906,
activity:4620290,
activity:4633252,
activity:4805523,
activity:4833165,
activity:5070274,
activity:5996925,
activity:6004553,
activity:6016699,
activity:6033251,
activity:6070687
|