|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
|
|
chemicalCompound:standardIn... |
POULHZVOKOAJMA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C12H24O2
|
|
chemicalCompound:moleculeId |
178621
|
|
chemicalCompound:mwFreebase |
200.318
|
|
chemicalCompound:alogp |
4.568
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
10
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.782
|
|
chemicalCompound:acdLogP |
4.773
|
|
chemicalCompound:acdLogD |
2.185
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
200.318
|
|
chemicalCompound:chemblId |
CHEMBL108766
|
|
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 |
DODECANOATE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:95948,
activity:810807,
activity:810808,
activity:810809,
activity:810810,
activity:810811,
activity:1279489,
activity:1279490,
activity:1279491,
activity:2310144,
activity:2310151,
activity:2310161,
activity:2310165,
activity:2310172,
activity:2310185,
activity:2310198,
activity:2310201,
activity:2310204,
activity:2310207,
activity:2310214,
activity:2310264,
activity:2327757,
activity:2362611,
activity:2362612,
activity:2439002,
activity:3366165,
activity:3920905,
activity:3941235,
activity:4190749,
activity:4618141,
activity:4751405,
activity:4789851,
activity:6074414,
activity:6199088,
activity:6199093,
activity:6445180,
activity:6577379,
activity:6739184,
activity:6804254,
activity:6958417,
activity:6958578,
activity:7011331,
activity:7047026,
activity:7048582,
activity:7050788,
activity:7417745,
activity:7564666,
activity:7565112,
activity:7565113,
activity:7920781,
activity:7920795,
activity:7920807,
activity:7920828,
activity:7920849,
activity:7920872,
activity:7920896,
activity:7936057,
activity:7936078,
activity:7936100,
activity:7936121,
activity:7936143,
activity:7936164
|
