|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3
|
|
chemicalCompound:standardIn... |
SQVXWIUVAILQRH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
|
|
chemicalCompound:molecularF... |
C16H12O4
|
|
chemicalCompound:moleculeId |
17828
|
|
chemicalCompound:mwFreebase |
268.264
|
|
chemicalCompound:alogp |
2.878
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
55.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.02
|
|
chemicalCompound:acdLogP |
2.766
|
|
chemicalCompound:acdLogD |
2.235
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
268.264
|
|
chemicalCompound:chemblId |
CHEMBL16751
|
|
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:710209,
activity:2328828,
activity:3366139,
activity:3774110,
activity:3978837,
activity:4014480,
activity:4552834,
activity:4830851,
activity:4870155,
activity:4957348,
activity:5025247,
activity:5026705,
activity:5033614,
activity:6277320,
activity:6277336,
activity:6468233,
activity:6846836,
activity:7047176,
activity:7074356,
activity:7207959,
activity:10050422
|
