|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H17N3O3/c1-21-14-6-4-13(5-7-14)20-11-17(18-19-20)12-8-15(22-2)10-16(9-12)23-3/h4-11H,1-3H3
|
|
chemicalCompound:standardIn... |
APQKCRWEBIZFIR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)n2cc(nn2)c3cc(OC)cc(OC)c3
|
|
chemicalCompound:molecularF... |
C17 H17 N3 O3
|
|
chemicalCompound:moleculeId |
336409
|
|
chemicalCompound:mwFreebase |
311.335
|
|
chemicalCompound:alogp |
3.486
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
58.4
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.886
|
|
chemicalCompound:acdLogD |
2.886
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
311.335
|
|
chemicalCompound:chemblId |
CHEMBL382392
|
|
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 |
|
