|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H9F6N3O/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H
|
|
chemicalCompound:standardIn... |
VVCKCUMUZCJUSY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
FC(F)(F)c1cccc(Oc2nc(nnc2C(F)(F)F)c3ccccc3)c1
|
|
chemicalCompound:molecularF... |
C17H9F6N3O
|
|
chemicalCompound:moleculeId |
731766
|
|
chemicalCompound:mwFreebase |
385.263
|
|
chemicalCompound:alogp |
5.616
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
47.9
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.676
|
|
chemicalCompound:acdLogD |
4.676
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
385.263
|
|
chemicalCompound:chemblId |
CHEMBL1307882
|
|
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:4453984,
activity:4498741,
activity:4623337,
activity:4937075,
activity:5004935,
activity:5523540,
activity:5616963,
activity:5833258,
activity:5913082,
activity:6011109,
activity:6017498,
activity:6019532,
activity:6029680,
activity:6032370,
activity:6444124,
activity:6596088,
activity:6658624,
activity:6757919,
activity:7178971,
activity:7202647
|
