|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
|
|
chemicalCompound:standardIn... |
LCAWNFIFMLXZPQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
|
|
chemicalCompound:molecularF... |
C15H10O4
|
|
chemicalCompound:moleculeId |
86145
|
|
chemicalCompound:mwFreebase |
254.238
|
|
chemicalCompound:alogp |
2.652
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
66.76
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.032
|
|
chemicalCompound:acdLogP |
2.45
|
|
chemicalCompound:acdLogD |
1.92
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
254.238
|
|
chemicalCompound:chemblId |
CHEMBL294878
|
|
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:3207283,
activity:3207290,
activity:3207295,
activity:3290705,
activity:3686203,
activity:3702822,
activity:3873499,
activity:4017663,
activity:4123775,
activity:4457888,
activity:4523071,
activity:4795922,
activity:4985666,
activity:5054655,
activity:6197394,
activity:6197439,
activity:6197484,
activity:6197596
|
