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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: KRE1
Replicates: 2
Raw OD Value: r im 0.6462±0.0142836
Normalized OD Score: sc h 1.0125±0.00767143
Z-Score: 0.5392±0.34686
p-Value: 0.60078
Z-Factor: -4.75893
Fitness Defect: 0.5095
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.0381±0.00153
Plate DMSO Control (-):0.619175±0.01104
Plate Z-Factor:0.9162
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DBLink | Rows returned: 10<< Back 1 2
46106 dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
46107 (3-dimethylaminophenyl) N-methylcarbamate
47058 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
49115 [3-(dimethylcarbamoyloxy)phenyl]-dimethyl-azanium chloride

internal high similarity DBLink | Rows returned: 1
SPE01500428 1.0000

active | Cluster 2833 | Additional Members: 5 | Rows returned: 0
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