|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H20O5/c1-21-15-7-5-6-13(10-15)8-9-16(20)14-11-17(22-2)19(24-4)18(12-14)23-3/h5-12H,1-4H3/b9-8+
|
|
chemicalCompound:standardIn... |
JMTGUGXQVBQMIV-CMDGGOBGSA-N
|
|
chemicalCompound:canonicalS... |
COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)c1
|
|
chemicalCompound:molecularF... |
C19H20O5
|
|
chemicalCompound:moleculeId |
377538
|
|
chemicalCompound:mwFreebase |
328.359
|
|
chemicalCompound:alogp |
3.636
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
53.99
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.777
|
|
chemicalCompound:acdLogD |
2.777
|
|
chemicalCompound:fullMwt |
328.359
|
|
chemicalCompound:chemblId |
CHEMBL227766
|
|
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:1860426,
activity:2337820,
activity:2337842,
activity:2337864,
activity:2337886,
activity:2354071,
activity:3086173,
activity:3086176,
activity:3086177,
activity:3186665,
activity:3414323
|
