|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
YMBCJWGVCUEGHA-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].CC[N+](CC)(CC)CC
|
|
chemicalCompound:molecularF... |
C8 H20 N . Cl
|
|
chemicalCompound:moleculeId |
208767
|
|
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 |
165.704
|
|
chemicalCompound:chemblId |
CHEMBL434435
|
|
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 CHLORIDE
|
|
chemicalCompound:activity |
activity:359709,
activity:3473549,
activity:3486046,
activity:3486047,
activity:3486048,
activity:3486049,
activity:3486050,
activity:3486051,
activity:3695081,
activity:3729898,
activity:3987935,
activity:4084650,
activity:4278409,
activity:4358236,
activity:4483778,
activity:4535727,
activity:4537583,
activity:4867428,
activity:4966281,
activity:5073101,
activity:5570956,
activity:5856547,
activity:5875844,
activity:6568972,
activity:6677469,
activity:6786389,
activity:6889529,
activity:7197021,
activity:7431172,
activity:9351310
|
