|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H14FN3O/c20-17-10-4-8-15(12-17)19(24)23-22-18(14-6-2-1-3-7-14)16-9-5-11-21-13-16/h1-13H,(H,23,24)
|
|
chemicalCompound:standardIn... |
KMGQGYCYIOHMTK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1cccc(c1)C(=O)NN=C(c2ccccc2)c3cccnc3
|
|
chemicalCompound:molecularF... |
C19H14FN3O
|
|
chemicalCompound:moleculeId |
803457
|
|
chemicalCompound:mwFreebase |
319.332
|
|
chemicalCompound:alogp |
3.383
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
54.35
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.919
|
|
chemicalCompound:acdLogP |
3.69
|
|
chemicalCompound:acdLogD |
3.69
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
319.332
|
|
chemicalCompound:acdMostBpk... |
2.871
|
|
chemicalCompound:chemblId |
CHEMBL1379573
|
|
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:3632271,
activity:3766358,
activity:3835097,
activity:3942618,
activity:4083977,
activity:4206023,
activity:4338501,
activity:4414037,
activity:4432945,
activity:4703891,
activity:4711976,
activity:4754072,
activity:4763367,
activity:4773317,
activity:4777559,
activity:4839491,
activity:4921638,
activity:4990443,
activity:5329912,
activity:5346138,
activity:5351839,
activity:5397537,
activity:5403786,
activity:5434447,
activity:5504757,
activity:5530840,
activity:5534648,
activity:5535272,
activity:5564070,
activity:5571307,
activity:5585115,
activity:5650092,
activity:5656710,
activity:5664189,
activity:5775672,
activity:5798944,
activity:5854331,
activity:5856888,
activity:5861097,
activity:5869182,
activity:5878782,
activity:5960141,
activity:6544496,
activity:6573528,
activity:6775241,
activity:6884655,
activity:7022647,
activity:7025308,
activity:7033515,
activity:7162273,
activity:7305251,
activity:7359630,
activity:7443409,
activity:7530142
|
