|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H7N3O2/c1-2-9(15-7-1)11-13-10(14-16-11)8-3-5-12-6-4-8/h1-7H
|
|
chemicalCompound:standardIn... |
FEDNOYAGHHUWBI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
o1cccc1c2onc(n2)c3ccncc3
|
|
chemicalCompound:molecularF... |
C11H7N3O2
|
|
chemicalCompound:moleculeId |
455675
|
|
chemicalCompound:mwFreebase |
213.192
|
|
chemicalCompound:alogp |
1.389
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.95
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.876
|
|
chemicalCompound:acdLogD |
1.876
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
213.192
|
|
chemicalCompound:acdMostBpk... |
0.703
|
|
chemicalCompound:chemblId |
CHEMBL472931
|
|
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:2391607,
activity:2391647,
activity:2391671,
activity:2391690,
activity:2391695,
activity:3779563,
activity:3838646,
activity:3849220,
activity:3880904,
activity:3905245,
activity:3916186,
activity:3956648,
activity:4283045,
activity:4708796,
activity:4719294,
activity:4935695,
activity:5572641,
activity:5684576,
activity:5966010,
activity:6515720,
activity:6975411,
activity:7117468,
activity:7361192,
activity:7382407
|
