|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
|
|
chemicalCompound:standardIn... |
PHSRRHGYXQCRPU-AWEZNQCLSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
|
chemicalCompound:molecularF... |
C16H27NO4
|
|
chemicalCompound:moleculeId |
4228
|
|
chemicalCompound:mwFreebase |
297.39
|
|
chemicalCompound:alogp |
2.868
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
72.47
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.221
|
|
chemicalCompound:acdLogP |
2.227
|
|
chemicalCompound:acdLogD |
2.225
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.39
|
|
chemicalCompound:chemblId |
CHEMBL8483
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:392805,
activity:392806,
activity:392807,
activity:392808,
activity:392809,
activity:1706170,
activity:2151095,
activity:2151096,
activity:2288468,
activity:2288469,
activity:2288470,
activity:2288471,
activity:2288472,
activity:2288473,
activity:2288474,
activity:2288475,
activity:2288476,
activity:2288477,
activity:2288478,
activity:2288479,
activity:2288480,
activity:2288481,
activity:2288482,
activity:2288483,
activity:2288484,
activity:2288485,
activity:2288486,
activity:2288487,
activity:2288488,
activity:2288489,
activity:2288490,
activity:2288491,
activity:2288492,
activity:2288493,
activity:2288494,
activity:2288495,
activity:2288496,
activity:2288497,
activity:2288498,
activity:2288499,
activity:2288500,
activity:2288501,
activity:2288502,
activity:2288503,
activity:2288504,
activity:2288505,
activity:2288506,
activity:2288507,
activity:2288508,
activity:2288509,
activity:2288510,
activity:2288511,
activity:2288512,
activity:2288513,
activity:2288514,
activity:2288515,
activity:2288516,
activity:2288517,
activity:2288518,
activity:2288519,
activity:2288520,
activity:2288521,
activity:2288522,
activity:2288523,
activity:2288524,
activity:2288525
|
