|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H14FN3O2/c24-19-4-2-1-3-18(19)23-26-20(16-7-5-15(12-25)6-8-16)13-27(23)17-9-10-21-22(11-17)29-14-28-21/h1-11,13H,14H2
|
|
chemicalCompound:standardIn... |
FALVOICXQJZKFO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccccc1c2nc(cn2c3ccc4OCOc4c3)c5ccc(cc5)C#N
|
|
chemicalCompound:molecularF... |
C23H14FN3O2
|
|
chemicalCompound:moleculeId |
561185
|
|
chemicalCompound:mwFreebase |
383.375
|
|
chemicalCompound:alogp |
5.224
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
60.07
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.49
|
|
chemicalCompound:acdLogD |
3.49
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
383.375
|
|
chemicalCompound:acdMostBpk... |
2.598
|
|
chemicalCompound:chemblId |
CHEMBL552429
|
|
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 |
|
