|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
|
|
chemicalCompound:standardIn... |
OEYIOHPDSNJKLS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[N+](C)(C)CCO
|
|
chemicalCompound:molecularF... |
C5H14NO
|
|
chemicalCompound:moleculeId |
83143
|
|
chemicalCompound:mwFreebase |
104.171
|
|
chemicalCompound:alogp |
-1.575
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.531
|
|
chemicalCompound:acdLogP |
-4.141
|
|
chemicalCompound:acdLogD |
-4.141
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
104.171
|
|
chemicalCompound:chemblId |
CHEMBL920
|
|
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 |
CHOLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:303113,
activity:303114,
activity:303115,
activity:303116,
activity:303117,
activity:303118,
activity:303119,
activity:303120,
activity:303121,
activity:303122,
activity:303123,
activity:636192,
activity:793267,
activity:793268,
activity:793269,
activity:793270,
activity:793271,
activity:793272,
activity:793273,
activity:793274,
activity:1091661,
activity:1169370,
activity:1169371,
activity:1169372,
activity:1230640,
activity:1484703,
activity:1484704,
activity:2254667,
activity:2364282,
activity:3306837,
activity:3811146,
activity:4811381,
activity:5777157,
activity:5787698,
activity:5999321,
activity:6010020,
activity:6013317,
activity:6025466,
activity:6046375
|
