|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
|
|
chemicalCompound:standardIn... |
ZTHYODDOHIVTJV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCOC(=O)c1cc(O)c(O)c(O)c1
|
|
chemicalCompound:molecularF... |
C10H12O5
|
|
chemicalCompound:moleculeId |
3346
|
|
chemicalCompound:mwFreebase |
212.199
|
|
chemicalCompound:alogp |
1.831
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
86.99
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.941
|
|
chemicalCompound:acdLogP |
1.779
|
|
chemicalCompound:acdLogD |
1.64
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
212.199
|
|
chemicalCompound:chemblId |
CHEMBL7983
|
|
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 |
N-PROPYL GALLATE
|
|
chemicalCompound:activity |
activity:60702,
activity:60703,
activity:60704,
activity:60705,
activity:60706,
activity:60707,
activity:60708,
activity:60709,
activity:60710,
activity:60711,
activity:60712,
activity:60713,
activity:60714,
activity:60715,
activity:60716,
activity:60717,
activity:60718,
activity:60719,
activity:60720,
activity:60721,
activity:60722,
activity:60723,
activity:60724,
activity:60725,
activity:60726,
activity:60727,
activity:60728,
activity:60729,
activity:60730,
activity:60731,
activity:60732,
activity:60733,
activity:266743,
activity:266744,
activity:518753,
activity:518754,
activity:577813,
activity:816056,
activity:816057,
activity:816058,
activity:816059,
activity:832781,
activity:832782,
activity:832783,
activity:832784,
activity:832785,
activity:832786,
activity:832787,
activity:832788,
activity:1888547,
activity:2272354,
activity:2272378,
activity:2272393,
activity:2272394,
activity:2272476,
activity:2272477,
activity:2272478,
activity:2272479,
activity:2272480,
activity:2272481,
activity:2272482,
activity:2335485,
activity:2335489,
activity:2335493,
activity:2534249
|
