|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3
|
|
chemicalCompound:standardIn... |
VVRUNWFPOWIBDY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(O)c2C(=O)c3c(OC)cc4OC5OC=CC5c4c3Oc12
|
|
chemicalCompound:molecularF... |
C19H14O7
|
|
chemicalCompound:moleculeId |
964901
|
|
chemicalCompound:mwFreebase |
354.31
|
|
chemicalCompound:alogp |
2.395
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
83.45
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.379
|
|
chemicalCompound:acdLogP |
2.472
|
|
chemicalCompound:acdLogD |
2.161
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
354.31
|
|
chemicalCompound:chemblId |
CHEMBL1541017
|
|
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:3656993,
activity:3684222,
activity:3700342,
activity:3856902,
activity:3969132,
activity:4095434,
activity:4758693,
activity:4905905,
activity:4966076,
activity:5008890,
activity:5463888,
activity:5499460,
activity:6665015,
activity:6987478,
activity:7024843,
activity:7097584,
activity:7246360,
activity:7355713
|
