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Compound InformationSONAR Target prediction
Name:

Neostigmine bromide

Unique Identifier:Prest352
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC12H20N2O2
Molecular Weight:284.045 g/mol
X log p:8.357  (online calculus)
Lipinksi Failures1
TPSA29.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:[BrH-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2013.0000±0
Normalized OD Score: sc h 0.9801±0
Z-Score: -0.4475±0
p-Value: 0.65453
Z-Factor: -11.7641
Fitness Defect: 0.4238
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|G9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 10<< Back 1 2
46106 dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
46107 (3-dimethylaminophenyl) N-methylcarbamate
47058 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
49115 [3-(dimethylcarbamoyloxy)phenyl]-dimethyl-azanium chloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2833 | Additional Members: 5 | Rows returned: 3
Prest1098 0.36
LOPAC 00212 0
SPE01500428 0

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