|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
LULNWZDBKTWDGK-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C12H19BrN2O2
|
|
chemicalCompound:moleculeId |
79557
|
|
chemicalCompound:mwFreebase |
223.291
|
|
chemicalCompound:alogp |
0.511
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
29.54
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-2.088
|
|
chemicalCompound:acdLogD |
-2.088
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.195
|
|
chemicalCompound:chemblId |
CHEMBL54126
|
|
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 |
NEOSTIGMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:72405,
activity:72406,
activity:306088,
activity:306089,
activity:306090,
activity:306091,
activity:306092,
activity:306093,
activity:306094,
activity:306095,
activity:421396,
activity:421397,
activity:642880,
activity:774629,
activity:1002392,
activity:1002393,
activity:1002394,
activity:1002395,
activity:1071194,
activity:1074967,
activity:1074968,
activity:1989573,
activity:1989574,
activity:1989575,
activity:2364291,
activity:2441982,
activity:2573380,
activity:2915117,
activity:2915118,
activity:2915119,
activity:2979740,
activity:2979830,
activity:2979930,
activity:2990497,
activity:2990544,
activity:2991991,
activity:2993456,
activity:2994700,
activity:3204819,
activity:3204837,
activity:3218690,
activity:3473139,
activity:3617481,
activity:3622799,
activity:4349540,
activity:4552200,
activity:4920615,
activity:5073001,
activity:5080617,
activity:5081149,
activity:5081150,
activity:5082817,
activity:5165979,
activity:5317630,
activity:5318581,
activity:5319532,
activity:5855697,
activity:5875779,
activity:6536075,
activity:6641580
|
