|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
|
|
chemicalCompound:standardIn... |
WVYADZUPLLSGPU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1ccccc1OC(=O)c2ccccc2O
|
|
chemicalCompound:molecularF... |
C14 H10 O5
|
|
chemicalCompound:moleculeId |
255532
|
|
chemicalCompound:mwFreebase |
258.226
|
|
chemicalCompound:alogp |
2.649
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
83.83
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.935
|
|
chemicalCompound:acdLogP |
2.755
|
|
chemicalCompound:acdLogD |
-0.48
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
258.226
|
|
chemicalCompound:chemblId |
CHEMBL154111
|
|
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 |
SALSALATE
|
|
chemicalCompound:activity |
activity:106438,
activity:3686843,
activity:3705869,
activity:4133816,
activity:4816024,
activity:5329125,
activity:7809309,
activity:7809310,
activity:7809311,
activity:7809312,
activity:7809313,
activity:7809314,
activity:7809315,
activity:7809316,
activity:7809317,
activity:7809318,
activity:7809319,
activity:7809320,
activity:7809321,
activity:7809322,
activity:7809323,
activity:7809324,
activity:7809325,
activity:7809326,
activity:7809327,
activity:7809328,
activity:7809329,
activity:7809330,
activity:7809331,
activity:7809332,
activity:7809333,
activity:7809334,
activity:7809335,
activity:7809336,
activity:7809337,
activity:7809338,
activity:7809339,
activity:7809340,
activity:7809341,
activity:7809342,
activity:7809343,
activity:7809344,
activity:7809345,
activity:7809346,
activity:7809347,
activity:7809348,
activity:7809349,
activity:7809350,
activity:7809351,
activity:7809352,
activity:7809353,
activity:7809354,
activity:7809355,
activity:7809356,
activity:7809357,
activity:7809358,
activity:7809359,
activity:7809360,
activity:7809361,
activity:7809362,
activity:7809363,
activity:7809364,
activity:7809365,
activity:7809366,
activity:7809367
|
