|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9F2NO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-8,16H/b6-5+
|
|
chemicalCompound:standardIn... |
KTEAKLUXZUBCOY-AATRIKPKSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(N\C=C\C(=O)c2occc2)c(F)c1
|
|
chemicalCompound:molecularF... |
C13H9F2NO2
|
|
chemicalCompound:moleculeId |
999592
|
|
chemicalCompound:mwFreebase |
249.213
|
|
chemicalCompound:alogp |
2.849
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
42.24
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.077
|
|
chemicalCompound:acdLogD |
2.077
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
249.213
|
|
chemicalCompound:chemblId |
CHEMBL1575708
|
|
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:3803237,
activity:3836616,
activity:3870248,
activity:3905878,
activity:3920520,
activity:3952293,
activity:4011976,
activity:4058672,
activity:4070256,
activity:4281076,
activity:4301536,
activity:4333423,
activity:4534046,
activity:4536918,
activity:4744205,
activity:4797585,
activity:4823847,
activity:5002969,
activity:5393954,
activity:5427192,
activity:5576246,
activity:5659680,
activity:5672957,
activity:5708364,
activity:5894172,
activity:6737920,
activity:7195950,
activity:7388615,
activity:7534019
|
