|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
|
|
chemicalCompound:standardIn... |
OSWPMRLSEDHDFF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)c1ccccc1O
|
|
chemicalCompound:molecularF... |
C8H8O3
|
|
chemicalCompound:moleculeId |
178495
|
|
chemicalCompound:mwFreebase |
152.147
|
|
chemicalCompound:alogp |
1.443
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.76
|
|
chemicalCompound:acdLogP |
2.523
|
|
chemicalCompound:acdLogD |
2.521
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
152.147
|
|
chemicalCompound:chemblId |
CHEMBL108545
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
METHYL SALICYLATE
|
|
chemicalCompound:firstAppro... |
2008
|
|
chemicalCompound:activity |
activity:819310,
activity:819311,
activity:819312,
activity:819313,
activity:819314,
activity:2590830,
activity:2590848,
activity:3008072,
activity:3650390,
activity:3911567,
activity:4710860,
activity:5317574,
activity:5318525,
activity:5319476,
activity:6295526,
activity:6295537,
activity:7475539,
activity:7758203,
activity:7758204,
activity:7758205,
activity:7758206,
activity:7758207,
activity:7758208,
activity:7758209,
activity:7758210,
activity:7758211,
activity:7758212,
activity:7758213,
activity:7758214,
activity:7758215,
activity:7758216,
activity:7758217,
activity:7758218,
activity:7758219,
activity:7758220,
activity:7758221,
activity:7758222,
activity:7758223,
activity:7758224,
activity:7758225,
activity:7760237,
activity:7760238,
activity:7760239,
activity:7760240,
activity:7760241,
activity:7760242,
activity:7760243,
activity:7760244,
activity:7760245,
activity:7760246,
activity:7760247,
activity:7760248,
activity:7760249,
activity:7760250,
activity:7760251,
activity:7760252,
activity:7760253,
activity:7760254,
activity:7760255,
activity:7760256,
activity:7760257,
activity:7760258
|
