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Compound InformationSONAR Target prediction
Name:

Neostigmine bromide

Unique Identifier:LOPAC 00212
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC12H20N2O2
Molecular Weight:284.045 g/mol
X log p:8.357  (online calculus)
Lipinksi Failures1
TPSA29.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:[BrH-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Class:Cholinergic
Action:Inhibitor
Selectivity:Acetylcholinesterase

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.7000±0.0303349
Normalized OD Score: sc h 1.0193±0.00318005
Z-Score: 0.9245±0.151876
p-Value: 0.358016
Z-Factor: -7.88299
Fitness Defect: 1.0272
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.039400000000000004±0.00444
Plate DMSO Control (-):0.678875±0.02112
Plate Z-Factor:0.9188
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DBLink | Rows returned: 101 2 Next >> 
4456 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium
8246 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide
14596 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium iodide
19886 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
19887 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
44957 (3-dimethylaminophenyl) N,N-dimethylcarbamate

internal high similarity DBLink | Rows returned: 1
SPE01500428 1.0000

nonactive | Cluster 2833 | Additional Members: 5 | Rows returned: 3
Prest1098 0.36
SPE01500428 0
Prest352 0

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