|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H18FN5O/c20-17-3-1-14(2-4-17)18-15(5-6-24-7-9-26-10-8-24)13-25-19(23-18)16(11-21)12-22-25/h1-4,12-13H,5-10H2
|
|
chemicalCompound:standardIn... |
IRMARSGHUWGXFG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2nc3c(cnn3cc2CCN4CCOCC4)C#N
|
|
chemicalCompound:molecularF... |
C19H18FN5O
|
|
chemicalCompound:moleculeId |
724025
|
|
chemicalCompound:mwFreebase |
351.378
|
|
chemicalCompound:alogp |
2.216
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
66.45
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1
|
|
chemicalCompound:acdLogD |
0.961
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
351.378
|
|
chemicalCompound:acdMostBpk... |
6.384
|
|
chemicalCompound:chemblId |
CHEMBL1300141
|
|
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 |
|
