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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8485±0.0264458
Normalized OD Score: sc h 0.9966±0.00566606
Z-Score: 0.1097±0.108786
p-Value: 0.91292
Z-Factor: -9.40523
Fitness Defect: 0.0911
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|A10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10125±0.01065
Plate DMSO Control (-):0.9452499999999998±0.01954
Plate Z-Factor:0.8785
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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

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