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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: 22 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.5331±0.263539
Normalized OD Score: sc h 0.7923±0.340489
Z-Score: -6.2619±10.6698
p-Value: 0.0997884
Z-Factor: -8.98721
Fitness Defect: 2.3047
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.048375±0.00120
Plate DMSO Control (-):0.6557999999999999±0.08518
Plate Z-Factor:0.7864
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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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