|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N4O3/c1-26-15-10-8-13(9-11-15)17-19(25)24(14-6-4-3-5-7-14)18-16(22-17)12-21-20(23-18)27-2/h3-12H,1-2H3
|
|
chemicalCompound:standardIn... |
PXFMFKPONFFSMS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=Nc3cnc(OC)nc3N(C2=O)c4ccccc4
|
|
chemicalCompound:molecularF... |
C20H16N4O3
|
|
chemicalCompound:moleculeId |
739219
|
|
chemicalCompound:mwFreebase |
360.366
|
|
chemicalCompound:alogp |
3.538
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
76.91
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.23
|
|
chemicalCompound:acdLogD |
3.23
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
360.366
|
|
chemicalCompound:acdMostBpk... |
1.793
|
|
chemicalCompound:chemblId |
CHEMBL1315335
|
|
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:3690120,
activity:3764170,
activity:3776496,
activity:3801711,
activity:4137483,
activity:4659369,
activity:4699521,
activity:4871654,
activity:5016833,
activity:5993843,
activity:6024387,
activity:6045420,
activity:6048556,
activity:6055881
|
