|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H
|
|
chemicalCompound:standardIn... |
BUAIGJRXIAKFCN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2nn3ccccc3c2c4ccncc4
|
|
chemicalCompound:molecularF... |
C18H12FN3
|
|
chemicalCompound:moleculeId |
516400
|
|
chemicalCompound:mwFreebase |
289.306
|
|
chemicalCompound:alogp |
3.578
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
30.19
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.718
|
|
chemicalCompound:acdLogD |
2.717
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
289.306
|
|
chemicalCompound:acdMostBpk... |
4.215
|
|
chemicalCompound:chemblId |
CHEMBL485745
|
|
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:2256923,
activity:2256937,
activity:2256938,
activity:2256939,
activity:2256949,
activity:2256959,
activity:2256963,
activity:2256967,
activity:2256971,
activity:2256975,
activity:2256979,
activity:2256981,
activity:2256983,
activity:2256985,
activity:2256987,
activity:2256989,
activity:2256990,
activity:2256991,
activity:2256992,
activity:2256993,
activity:2256994,
activity:2256995,
activity:2256996,
activity:2256997,
activity:2256998,
activity:2256999,
activity:2257000,
activity:2257001,
activity:8067537,
activity:8067538,
activity:8067539,
activity:8067540,
activity:8067541,
activity:8067542,
activity:8067543,
activity:8067544,
activity:8067545,
activity:8067546,
activity:8067547,
activity:8067548,
activity:8067549,
activity:8067550,
activity:8067551,
activity:8067552,
activity:8067553,
activity:8067554,
activity:8067555,
activity:8067556,
activity:8067557,
activity:8067558,
activity:8067559,
activity:8067560,
activity:8067561,
activity:8067562,
activity:8067563,
activity:8067564,
activity:8067565,
activity:8067566,
activity:8067567,
activity:8067568,
activity:8067569,
activity:8067570,
activity:8067571,
activity:8067572,
activity:8067573,
activity:8067574,
activity:8067575
|
