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Compound InformationSONAR Target prediction
Name:

Methylcarbamylcholine chloride

Unique Identifier:LOPAC 00209
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C7ClH18N2O2
Molecular Weight:179.54 g/mol
X log p:0.119  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:[ClH-].CNC(=O)OCC[N+](C)(C)C
Class:Cholinergic
Action:Agonist
Selectivity:Nicotinic

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8229±0.00353553
Normalized OD Score: sc h 0.9918±0.00134901
Z-Score: -0.6073±0.155612
p-Value: 0.54611
Z-Factor: -4.92993
Fitness Defect: 0.6049
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.18389999999999998±0.19700
Plate DMSO Control (-):0.807075±0.01215
Plate Z-Factor:0.9413
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DBLink | Rows returned: 5
4136 trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium
84605 trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium chloride
84606 2-(dimethylcarbamoyloxy)ethyl-trimethyl-azanium chloride
84607 2-(dimethylcarbamoyloxy)ethyl-trimethyl-azanium
207831 2-(dimethylcarbamoyloxy)ethyl-trimethyl-azanium iodide

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 239 | Additional Members: 7 | Rows returned: 6
LOPAC 00233 0.466666666666667
LOPAC 00736 0.451612903225806
SPE01500104 0.428571428571429
SPE01500158 0
Prest1036 0
LOPAC 00183 0

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