|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
|
|
chemicalCompound:standardIn... |
LOTKRQAVGJMPNV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C6 H3 F N2 O4
|
|
chemicalCompound:moleculeId |
276800
|
|
chemicalCompound:mwFreebase |
186.097
|
|
chemicalCompound:alogp |
1.824
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
91.63
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.359
|
|
chemicalCompound:acdLogD |
1.359
|
|
chemicalCompound:fullMwt |
186.097
|
|
chemicalCompound:chemblId |
CHEMBL167423
|
|
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:460102,
activity:460103,
activity:3607780,
activity:3657967,
activity:3769469,
activity:3774737,
activity:3919653,
activity:3942303,
activity:3951288,
activity:4136926,
activity:4291405,
activity:4655835,
activity:4670721,
activity:4714031,
activity:4778635,
activity:4872807,
activity:4896360,
activity:4901553,
activity:4980596,
activity:5712673,
activity:6558642,
activity:6739338,
activity:7026128,
activity:7460957,
activity:7549873
|
