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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.6032±0.00834386
Normalized OD Score: sc h 0.9810±0.00483118
Z-Score: -0.7209±0.174537
p-Value: 0.47433
Z-Factor: -16.0604
Fitness Defect: 0.7459
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:16|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00051
Plate DMSO Control (-):0.6073±0.14019
Plate Z-Factor:0.1967
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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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