|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
|
|
chemicalCompound:standardIn... |
WWUZIQQURGPMPG-KRWOKUGFSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
|
|
chemicalCompound:molecularF... |
C18H37NO2
|
|
chemicalCompound:moleculeId |
107585
|
|
chemicalCompound:mwFreebase |
299.492
|
|
chemicalCompound:alogp |
4.824
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
66.48
|
|
chemicalCompound:rtb |
15
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.804
|
|
chemicalCompound:acdLogP |
5.039
|
|
chemicalCompound:acdLogD |
3.213
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
299.492
|
|
chemicalCompound:acdMostBpk... |
7.883
|
|
chemicalCompound:chemblId |
CHEMBL67166
|
|
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 |
SPHINGOSINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:262616,
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activity:3396856,
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activity:3490955,
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activity:7441923,
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activity:7467500,
activity:7483669,
activity:7504279,
activity:7513822,
activity:7534342,
activity:7550939
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