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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 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: STO1
Replicates: 2
Raw OD Value: r im 0.6131±0.0113137
Normalized OD Score: sc h 0.9762±0.00993345
Z-Score: -0.8507±0.367384
p-Value: 0.410672
Z-Factor: -2.23874
Fitness Defect: 0.89
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-12-06 YYYY-MM-DD
Plate CH Control (+):0.041550000000000004±0.00058
Plate DMSO Control (-):0.6019±0.01179
Plate Z-Factor:0.9491
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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: 1
LOPAC 00212 1.0000

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