|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2
|
|
chemicalCompound:standardIn... |
AFAIELJLZYUNPW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3
|
|
chemicalCompound:molecularF... |
C19H17N3
|
|
chemicalCompound:moleculeId |
792206
|
|
chemicalCompound:mwFreebase |
287.358
|
|
chemicalCompound:alogp |
2.798
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
75.89
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.642
|
|
chemicalCompound:acdLogD |
-0.798
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
287.358
|
|
chemicalCompound:acdMostBpk... |
7.025
|
|
chemicalCompound:chemblId |
CHEMBL1368322
|
|
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:3673497,
activity:3777971,
activity:3876198,
activity:3952263,
activity:4131613,
activity:4519136,
activity:4541648,
activity:4811607,
activity:4905479,
activity:4973951,
activity:4997864,
activity:5066573,
activity:5374275,
activity:5394759,
activity:5428126,
activity:5777559,
activity:6456778,
activity:6619440,
activity:7233119,
activity:7294458,
activity:7348727,
activity:7537495,
activity:10431779
|
