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Compound InformationSONAR Target prediction
Name:

NEOSTIGMINE BROMIDE

Unique Identifier:SPE01500428
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:cholinergic

Found: 205 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [205]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7121±0.0046669
Normalized OD Score: sc h 0.9899±0.00301847
Z-Score: -0.3804±0.121363
p-Value: 0.704674
Z-Factor: -6.3584
Fitness Defect: 0.35
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.04044999999999999±0.00065
Plate DMSO Control (-):0.6953999999999999±0.02337
Plate Z-Factor:0.8722
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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
LOPAC 00212 1.0000

nonactive | Cluster 2833 | Additional Members: 5 | Rows returned: 3
Prest1098 0.36
LOPAC 00212 0
Prest352 0

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