|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H12FN/c18-16-7-3-1-5-13(16)9-11-15-12-10-14-6-2-4-8-17(14)19-15/h1-12H/b11-9+
|
|
chemicalCompound:standardIn... |
GJLRIWPBWOADFG-PKNBQFBNSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccccc1\C=C\c2ccc3ccccc3n2
|
|
chemicalCompound:molecularF... |
C17H12FN
|
|
chemicalCompound:moleculeId |
783405
|
|
chemicalCompound:mwFreebase |
249.282
|
|
chemicalCompound:alogp |
4.636
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.89
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.044
|
|
chemicalCompound:acdLogD |
4.044
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
249.282
|
|
chemicalCompound:acdMostBpk... |
3.619
|
|
chemicalCompound:chemblId |
CHEMBL1359521
|
|
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:3696914,
activity:3820471,
activity:3836813,
activity:3872112,
activity:3905916,
activity:3952310,
activity:4058729,
activity:4070649,
activity:4281114,
activity:4602051,
activity:4738343,
activity:4748129,
activity:4823904,
activity:5007088,
activity:5364884,
activity:5415075,
activity:5439535,
activity:5603317,
activity:5677561,
activity:5723043,
activity:5811918,
activity:5888751,
activity:6424690,
activity:6597510,
activity:6646261,
activity:7020607,
activity:7022781,
activity:7181131,
activity:7366985,
activity:7407433,
activity:7505732,
activity:10435940
|
