|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H16N4O3/c23-16(14-12-13-4-1-2-5-15(13)25-17(14)24)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h1-7,12H,8-11H2
|
|
chemicalCompound:standardIn... |
RYEWVKHAGWKDKF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(N1CCN(CC1)c2ncccn2)C3=Cc4ccccc4OC3=O
|
|
chemicalCompound:molecularF... |
C18H16N4O3
|
|
chemicalCompound:moleculeId |
973946
|
|
chemicalCompound:mwFreebase |
336.345
|
|
chemicalCompound:alogp |
1.025
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
75.63
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.001
|
|
chemicalCompound:acdLogD |
1
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
336.345
|
|
chemicalCompound:acdMostBpk... |
4.873
|
|
chemicalCompound:chemblId |
CHEMBL1550062
|
|
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:3833433,
activity:3861611,
activity:4187837,
activity:4932358,
activity:4963963,
activity:5491851,
activity:5550088,
activity:5691183,
activity:5954700,
activity:6785218,
activity:7402875,
activity:7445802,
activity:7536597
|
