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Compound InformationSONAR Target prediction
Name:

Neostigmine bromide

Unique Identifier:LOPAC 00212
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
Class:Cholinergic
Action:Inhibitor
Selectivity:Acetylcholinesterase

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: SAP30
Replicates: 2
Raw OD Value: r im 0.8280±0.0110309
Normalized OD Score: sc h 1.0065±0.00451427
Z-Score: 0.5480±0.353741
p-Value: 0.595322
Z-Factor: -48.092
Fitness Defect: 0.5187
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.0388±0.11468
Plate DMSO Control (-):0.793825±0.01414
Plate Z-Factor:-0.1254
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DBLink | Rows returned: 101 2 Next >> 
4456 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium
8246 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide
14596 [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium iodide
19886 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
19887 trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
44957 (3-dimethylaminophenyl) N,N-dimethylcarbamate

internal high similarity DBLink | Rows returned: 1
SPE01500428 1.0000

active | Cluster 2833 | Additional Members: 5 | Rows returned: 0
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