|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
|
|
chemicalCompound:standardIn... |
LNTHITQWFMADLM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1cc(O)c(O)c(O)c1
|
|
chemicalCompound:molecularF... |
C7H6O5
|
|
chemicalCompound:moleculeId |
58428
|
|
chemicalCompound:mwFreebase |
170.12
|
|
chemicalCompound:alogp |
0.733
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
97.99
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.332
|
|
chemicalCompound:acdLogP |
0.531
|
|
chemicalCompound:acdLogD |
-2.458
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
170.12
|
|
chemicalCompound:chemblId |
CHEMBL288114
|
|
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 |
GALLICACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:378337,
activity:378338,
activity:422916,
activity:422917,
activity:817819,
activity:817820,
activity:817821,
activity:968778,
activity:1712850,
activity:1755853,
activity:1755854,
activity:1819029,
activity:1821493,
activity:1821915,
activity:2060566,
activity:2060576,
activity:2080832,
activity:2080845,
activity:2087288,
activity:2087298,
activity:2087305,
activity:2087312,
activity:2175820,
activity:2175935,
activity:2179289,
activity:2179636,
activity:2179648,
activity:2181240,
activity:2181247,
activity:2181254,
activity:2181261,
activity:2181268,
activity:2181275,
activity:2190889,
activity:2191219,
activity:2191220,
activity:2191237,
activity:2191238,
activity:2191255,
activity:2191265,
activity:2191276,
activity:2191277,
activity:2191286,
activity:2191301,
activity:2191302,
activity:2191303,
activity:2191304,
activity:2197668,
activity:2198932,
activity:2214709,
activity:2214787,
activity:2272383,
activity:2272384,
activity:2272412,
activity:2272421,
activity:2272422,
activity:2272423,
activity:2272424,
activity:2272425,
activity:2272426,
activity:2272427,
activity:2272428,
activity:2283783
|
