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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.4350±0.00240416
Normalized OD Score: sc h 1.0167±0.0255096
Z-Score: 0.4527±0.633635
p-Value: 0.681986
Z-Factor: -11.1067
Fitness Defect: 0.3827
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00047
Plate DMSO Control (-):0.413675±0.01661
Plate Z-Factor:0.8561
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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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