|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
|
|
chemicalCompound:standardIn... |
NYRXUBDGDSRBGB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1c(O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12
|
|
chemicalCompound:molecularF... |
C16H12O5
|
|
chemicalCompound:moleculeId |
448358
|
|
chemicalCompound:mwFreebase |
284.263
|
|
chemicalCompound:alogp |
2.794
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
83.83
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.596
|
|
chemicalCompound:acdLogP |
2.137
|
|
chemicalCompound:acdLogD |
1.011
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.263
|
|
chemicalCompound:chemblId |
CHEMBL448400
|
|
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 |
OBTUSIFOLIN
|
|
chemicalCompound:activity |
|
