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Compound InformationSONAR Target prediction
Name:

Bromoacetylcholine bromide

Unique Identifier:LOPAC 00736
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:Br2C7H16NO2
Molecular Weight:289.888 g/mol
X log p:0.856  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:5
Canonical Smiles:[BrH-].C[N+](C)(C)CCOC(=O)CBr
Class:Cholinergic
Action:Ligand

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.5951±0.00685894
Normalized OD Score: sc h 1.0878±0.00345222
Z-Score: 4.0523±0.521588
p-Value: 0.000119927
Z-Factor: 0.263316
Fitness Defect: 9.0286
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00106
Plate DMSO Control (-):0.54965±0.01065
Plate Z-Factor:0.9209
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DBLink | Rows returned: 1
204966 2-(2-bromoacetyl)oxyethyl-trimethyl-azanium

internal high similarity DBLink | Rows returned: 0

active | Cluster 239 | Additional Members: 7 | Rows returned: 1
SPE01500104 0.428571428571429

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