|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
LZZYPRNAOMGNLH-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C19H42BrN
|
|
chemicalCompound:moleculeId |
107931
|
|
chemicalCompound:mwFreebase |
284.543
|
|
chemicalCompound:alogp |
5.768
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
15
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.064
|
|
chemicalCompound:acdLogD |
2.064
|
|
chemicalCompound:fullMwt |
364.447
|
|
chemicalCompound:chemblId |
CHEMBL307346
|
|
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 |
CETRIMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:426189,
activity:663473,
activity:936550,
activity:936551,
activity:1100638,
activity:1288227,
activity:1288228,
activity:1288229,
activity:1288230,
activity:1288231,
activity:1288232,
activity:1288233,
activity:1288234,
activity:1288235,
activity:1288236,
activity:1288237,
activity:1288238,
activity:1288239,
activity:1288240,
activity:1288241,
activity:1288242,
activity:1288243,
activity:1510199,
activity:1510200,
activity:1510311,
activity:1510312,
activity:1833895,
activity:1833896,
activity:1833899,
activity:1833900,
activity:1833901,
activity:1833902,
activity:1833903,
activity:1833904,
activity:1833906,
activity:1833907,
activity:1833908,
activity:1833909,
activity:1833910,
activity:1833911,
activity:1834419,
activity:1834420,
activity:1834423,
activity:2123267,
activity:2123303,
activity:2123321,
activity:2123333,
activity:2123334,
activity:2123335,
activity:2123336,
activity:2500732,
activity:2500733,
activity:2500741,
activity:2656718,
activity:2656719,
activity:2656720,
activity:2656721,
activity:2656722,
activity:2656723,
activity:2931990,
activity:2932007,
activity:2932024,
activity:2932041,
activity:2932058
|
