|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
|
|
chemicalCompound:standardIn... |
YGSDEFSMJLZEOE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1ccccc1O
|
|
chemicalCompound:molecularF... |
C7H6O3
|
|
chemicalCompound:moleculeId |
1362
|
|
chemicalCompound:mwFreebase |
138.121
|
|
chemicalCompound:alogp |
1.217
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
57.53
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.006
|
|
chemicalCompound:acdLogP |
2.011
|
|
chemicalCompound:acdLogD |
-1.135
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
138.121
|
|
chemicalCompound:chemblId |
CHEMBL424
|
|
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 |
SALICYLIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:59596,
activity:89671,
activity:163080,
activity:163081,
activity:172174,
activity:255492,
activity:255493,
activity:297359,
activity:338566,
activity:757120,
activity:757121,
activity:757122,
activity:766566,
activity:766567,
activity:766568,
activity:766569,
activity:766570,
activity:766571,
activity:797036,
activity:797037,
activity:797038,
activity:797039,
activity:797040,
activity:837893,
activity:885904,
activity:885905,
activity:885906,
activity:885907,
activity:920592,
activity:995118,
activity:1239719,
activity:1239720,
activity:1239721,
activity:1239722,
activity:1239723,
activity:1239724,
activity:1501274,
activity:1506077,
activity:1737646,
activity:1737647,
activity:1737648,
activity:1737651,
activity:1737653,
activity:1737903,
activity:1738242,
activity:1738243,
activity:1738245,
activity:1738247,
activity:1738248,
activity:1738250,
activity:1879185,
activity:1879320,
activity:1879321,
activity:1879430,
activity:1879537,
activity:1879551,
activity:1879568,
activity:1879786,
activity:1879787,
activity:1941587,
activity:1941732,
activity:1997219,
activity:2043612,
activity:2058600
|
