|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
|
|
chemicalCompound:standardIn... |
FPLMIPQZHHQWHN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
|
|
chemicalCompound:molecularF... |
C16H12O7
|
|
chemicalCompound:moleculeId |
378459
|
|
chemicalCompound:mwFreebase |
316.262
|
|
chemicalCompound:alogp |
1.856
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
116.45
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.312
|
|
chemicalCompound:acdLogP |
2.67
|
|
chemicalCompound:acdLogD |
1.326
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.262
|
|
chemicalCompound:chemblId |
CHEMBL226034
|
|
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 |
TAMARIXETIN
|
|
chemicalCompound:activity |
activity:1880583,
activity:2336556,
activity:2413857,
activity:2413874,
activity:2413885,
activity:2908553,
activity:2908559,
activity:2908565,
activity:2908571,
activity:2908578,
activity:3409851,
activity:3409864,
activity:3409880,
activity:6268454,
activity:6355388
|
