|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
|
|
chemicalCompound:standardIn... |
INYDMNPNDHRJQJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C7H6N2O4
|
|
chemicalCompound:moleculeId |
913452
|
|
chemicalCompound:mwFreebase |
182.134
|
|
chemicalCompound:alogp |
2.104
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
91.64
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.361
|
|
chemicalCompound:acdLogD |
2.361
|
|
chemicalCompound:fullMwt |
182.134
|
|
chemicalCompound:chemblId |
CHEMBL1489568
|
|
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 |
activity:3658017,
activity:3773549,
activity:3774782,
activity:3778892,
activity:3894583,
activity:3914932,
activity:4057196,
activity:4291448,
activity:4670776,
activity:4723478,
activity:4747070,
activity:4896402,
activity:4969528,
activity:4976486,
activity:4980641,
activity:5034828,
activity:6558626,
activity:6746866,
activity:7011280,
activity:7046940,
activity:7046974,
activity:7224214,
activity:7472040
|
