|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
|
|
chemicalCompound:standardIn... |
HTQNYBBTZSBWKL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(C(=O)c2ccccc2)c(O)c1O
|
|
chemicalCompound:molecularF... |
C13H10O4
|
|
chemicalCompound:moleculeId |
423535
|
|
chemicalCompound:mwFreebase |
230.216
|
|
chemicalCompound:alogp |
2.508
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
77.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.51
|
|
chemicalCompound:acdLogP |
1.695
|
|
chemicalCompound:acdLogD |
1.349
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
230.216
|
|
chemicalCompound:chemblId |
CHEMBL1527
|
|
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:2080833,
activity:2080846,
activity:3254866,
activity:3254950,
activity:5353838,
activity:6342078,
activity:6468081,
activity:6558659,
activity:6601303,
activity:6720358,
activity:6883083,
activity:7004138,
activity:7026051,
activity:7048643,
activity:7063097,
activity:7071187,
activity:7449890,
activity:10414829
|
