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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.7117±0.0574171
Normalized OD Score: sc h 0.9620±0.0169232
Z-Score: -1.3965±0.268021
p-Value: 0.170074
Z-Factor: -5.32988
Fitness Defect: 1.7715
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044550000000000006±0.00128
Plate DMSO Control (-):0.68615±0.03274
Plate Z-Factor:0.8591
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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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