|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H7N3O2/c1-2-6-12-8(4-1)10-13-11(16-14-10)9-5-3-7-15-9/h1-7H
|
|
chemicalCompound:standardIn... |
MKZUFQNXBHOCHV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
o1cccc1c2onc(n2)c3ccccn3
|
|
chemicalCompound:molecularF... |
C11H7N3O2
|
|
chemicalCompound:moleculeId |
455593
|
|
chemicalCompound:mwFreebase |
213.192
|
|
chemicalCompound:alogp |
1.818
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.95
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.217
|
|
chemicalCompound:acdLogD |
2.217
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
213.192
|
|
chemicalCompound:chemblId |
CHEMBL460518
|
|
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:2391596,
activity:2391641,
activity:2391645,
activity:2391684,
activity:2391702,
activity:3684866,
activity:3774857,
activity:3800900,
activity:3834517,
activity:3876183,
activity:3905011,
activity:3952259,
activity:3954703,
activity:4058031,
activity:4083882,
activity:4280984,
activity:4736230,
activity:4773613,
activity:4823702,
activity:4865687,
activity:4888500,
activity:4990631,
activity:5431419,
activity:5533606,
activity:5575860,
activity:5663161,
activity:5880431,
activity:7151039,
activity:7355860,
activity:7399698,
activity:7519635,
activity:10110708
|
