|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
|
|
chemicalCompound:standardIn... |
GSEJCLTVZPLZKY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OCCN(CCO)CCO
|
|
chemicalCompound:molecularF... |
C6H15NO3
|
|
chemicalCompound:moleculeId |
460417
|
|
chemicalCompound:mwFreebase |
149.188
|
|
chemicalCompound:alogp |
-1.299
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
63.93
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.988
|
|
chemicalCompound:acdLogD |
-1.567
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
149.188
|
|
chemicalCompound:acdMostBpk... |
7.772
|
|
chemicalCompound:chemblId |
CHEMBL446061
|
|
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 |
TRIETHANOLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2417770,
activity:2417786,
activity:2417802,
activity:2417818,
activity:2417834,
activity:2511098,
activity:2511148,
activity:2511187,
activity:2511226,
activity:4864355,
activity:5523786,
activity:6577428
|
