|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3
|
|
chemicalCompound:standardIn... |
LGTXUFBDCDFQIU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=CC(=O)c3ccc(OC)cc3O2
|
|
chemicalCompound:molecularF... |
C17H14O4
|
|
chemicalCompound:moleculeId |
17830
|
|
chemicalCompound:mwFreebase |
282.291
|
|
chemicalCompound:alogp |
3.103
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
44.76
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.388
|
|
chemicalCompound:acdLogD |
3.388
|
|
chemicalCompound:fullMwt |
282.291
|
|
chemicalCompound:chemblId |
CHEMBL16442
|
|
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 |
|
