|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
|
|
chemicalCompound:standardIn... |
MTCUAOILFDZKCO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C16H38N2
|
|
chemicalCompound:moleculeId |
203048
|
|
chemicalCompound:mwFreebase |
258.486
|
|
chemicalCompound:alogp |
1.128
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-3.367
|
|
chemicalCompound:acdLogD |
-3.367
|
|
chemicalCompound:fullMwt |
258.486
|
|
chemicalCompound:chemblId |
CHEMBL1190
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DECAMETHONIUM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1052749,
activity:1441413,
activity:1845217,
activity:1845218,
activity:1987053,
activity:2141588,
activity:2141593,
activity:2341267,
activity:2341268,
activity:3641652,
activity:3672709,
activity:3806014,
activity:4496807,
activity:4585990,
activity:4807574,
activity:4857872,
activity:4877435,
activity:5521551,
activity:5993969,
activity:6000922,
activity:6014537,
activity:6017827,
activity:6029156,
activity:6029991,
activity:6031563,
activity:6032475,
activity:6034850,
activity:6054719,
activity:6539434,
activity:6824799,
activity:6842597,
activity:7141737
|
