|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28/h20,22,25-26,28H,2-19H2,1H3
|
|
chemicalCompound:standardIn... |
ODYJNUNVOCLZIP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCCCCCCCOC1=C(O)OC(C(O)CO)C1=O
|
|
chemicalCompound:molecularF... |
C24 H44 O6
|
|
chemicalCompound:moleculeId |
62660
|
|
chemicalCompound:mwFreebase |
428.603
|
|
chemicalCompound:alogp |
6.581
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
96.22
|
|
chemicalCompound:rtb |
20
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.5
|
|
chemicalCompound:acdLogP |
7.642
|
|
chemicalCompound:acdLogD |
4.838
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
428.603
|
|
chemicalCompound:chemblId |
CHEMBL441784
|
|
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:activity |
activity:222469,
activity:222470,
activity:222471,
activity:222472,
activity:222473,
activity:222474,
activity:222475,
activity:222476,
activity:222477,
activity:222478,
activity:222479,
activity:222480,
activity:222481,
activity:222482,
activity:222483,
activity:222484,
activity:222485,
activity:222486,
activity:222487,
activity:222488,
activity:222489,
activity:222490,
activity:222491,
activity:222492,
activity:225196,
activity:225197,
activity:225198,
activity:225199,
activity:225200,
activity:225201,
activity:225202,
activity:225203,
activity:225204,
activity:330896,
activity:330897,
activity:330898,
activity:330899,
activity:330900,
activity:330901,
activity:330902,
activity:330903,
activity:1196525,
activity:1196526,
activity:1196527,
activity:1196528,
activity:1196529,
activity:1196530,
activity:1196531,
activity:1196532,
activity:1196533,
activity:1196534,
activity:1196535,
activity:1196536,
activity:1196537,
activity:1196538,
activity:1196539,
activity:1196540,
activity:1196541,
activity:1196542,
activity:1196543,
activity:1196544,
activity:1268806,
activity:1268807,
activity:1268808,
activity:1301185,
activity:1301186
|
