|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H16O6/c1-20-12-7-6-10(18)14(17(12)22-3)13-8-9-4-5-11(19)16(21-2)15(9)23-13/h4-8,18-19H,1-3H3
|
|
chemicalCompound:standardIn... |
FGESOIUBZYZKLK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(O)c(c1OC)c2oc3c(OC)c(O)ccc3c2
|
|
chemicalCompound:molecularF... |
C17H16O6
|
|
chemicalCompound:moleculeId |
508626
|
|
chemicalCompound:mwFreebase |
316.305
|
|
chemicalCompound:alogp |
3.41
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
81.29
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.553
|
|
chemicalCompound:acdLogP |
1.741
|
|
chemicalCompound:acdLogD |
1.484
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.305
|
|
chemicalCompound:chemblId |
CHEMBL486291
|
|
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:prefName |
LESPEDEZAVIRGATOL
|
|
chemicalCompound:activity |
|
