|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
|
|
chemicalCompound:standardIn... |
CBXCPBUEXACCNR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC[N+](CC)(CC)CC
|
|
chemicalCompound:molecularF... |
C8H20N
|
|
chemicalCompound:moleculeId |
5467
|
|
chemicalCompound:mwFreebase |
130.251
|
|
chemicalCompound:alogp |
0.36
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-3.26
|
|
chemicalCompound:acdLogD |
-3.26
|
|
chemicalCompound:fullMwt |
130.251
|
|
chemicalCompound:chemblId |
CHEMBL9324
|
|
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 |
TETRAETHYLAMMONIUM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:785888,
activity:1441417,
activity:2364361,
activity:2364363,
activity:3378406,
activity:3672726,
activity:3938061,
activity:4586007,
activity:4739419,
activity:4811340,
activity:5572961,
activity:5775047,
activity:5990288,
activity:6027737,
activity:6031113,
activity:6039091,
activity:6071774,
activity:6073602,
activity:6073625,
activity:6073646,
activity:6073649,
activity:6790846,
activity:7343435,
activity:7462224,
activity:7473007,
activity:7473347
|
