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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6714±0.0187383
Normalized OD Score: sc h 1.0029±0.0285823
Z-Score: 0.0186±0.978606
p-Value: 0.489026
Z-Factor: -9.43739
Fitness Defect: 0.7153
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.048424999999999996±0.00168
Plate DMSO Control (-):0.674725±0.04792
Plate Z-Factor:0.7519
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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

active | Cluster 239 | Additional Members: 7 | Rows returned: 2
LOPAC 00736 0.451612903225806
SPE01500104 0.428571428571429

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