|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
|
|
chemicalCompound:standardIn... |
HLXQFVXURMXRPU-UHFFFAOYSA-L
|
|
chemicalCompound:canonicalS... |
[Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C16H38Br2N2
|
|
chemicalCompound:moleculeId |
171062
|
|
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 |
418.294
|
|
chemicalCompound:chemblId |
CHEMBL1134
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 BROMIDE
|
|
chemicalCompound:activity |
activity:770009,
activity:770010,
activity:1097264,
activity:1673104,
activity:1673137,
activity:1673190,
activity:1673203,
activity:1673213,
activity:1673220,
activity:1673253,
activity:1673273,
activity:3295125,
activity:3295139,
activity:3295160,
activity:3473376,
activity:3482622,
activity:3482703,
activity:3483487,
activity:3483568,
activity:3483648,
activity:3483729,
activity:3483810,
activity:3617450,
activity:3635128,
activity:3697300,
activity:3737266,
activity:3866142,
activity:3897408,
activity:3982034,
activity:4279584,
activity:4536355,
activity:4539136,
activity:4715496,
activity:4844088,
activity:4844644,
activity:4974440,
activity:5328851,
activity:5593049,
activity:5857511,
activity:5876718,
activity:6502706,
activity:6783921,
activity:7115156
|
