|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3
|
|
chemicalCompound:standardIn... |
AMKRBKSZCGCEJK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2C(=O)c3ccccc3C(=O)c2c1OC
|
|
chemicalCompound:molecularF... |
C16 H12 O4
|
|
chemicalCompound:moleculeId |
82429
|
|
chemicalCompound:mwFreebase |
268.264
|
|
chemicalCompound:alogp |
2.775
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
52.6
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.737
|
|
chemicalCompound:acdLogD |
1.737
|
|
chemicalCompound:fullMwt |
268.264
|
|
chemicalCompound:chemblId |
CHEMBL52884
|
|
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:1032375,
activity:1032376,
activity:1032377,
activity:3858817,
activity:3868249,
activity:4093206,
activity:4214879,
activity:4330166,
activity:4379938,
activity:4692563,
activity:5653584,
activity:5700333,
activity:5889248,
activity:7379128
|
