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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: GIM3
Replicates: 4
Raw OD Value: r im 0.4798±0.115242
Normalized OD Score: sc h 1.0075±0.0213717
Z-Score: 0.1652±0.345718
p-Value: 0.861032
Z-Factor: -3.84724
Fitness Defect: 0.1496
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.044700000000000004±0.00051
Plate DMSO Control (-):0.6080625±0.12359
Plate Z-Factor:0.1665
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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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