|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2
|
|
chemicalCompound:standardIn... |
GPXMVHRMRPADJD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(c(F)c1)c2nc3ccccn3c2C4=NN(C(=O)CC4)c5c(Cl)cccc5Cl
|
|
chemicalCompound:molecularF... |
C23H14Cl2F2N4O
|
|
chemicalCompound:moleculeId |
194629
|
|
chemicalCompound:mwFreebase |
471.286
|
|
chemicalCompound:alogp |
5.687
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
49.97
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.868
|
|
chemicalCompound:acdLogD |
4.868
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
471.286
|
|
chemicalCompound:acdMostBpk... |
2.22
|
|
chemicalCompound:chemblId |
CHEMBL334215
|
|
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 |
|
