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Compound InformationSONAR Target prediction
Name:

BETAHISTINE HYDROCHLORIDE

Unique Identifier:SPE01500670
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8Cl2H14N2
Molecular Weight:195.004 g/mol
X log p:7.99  (online calculus)
Lipinksi Failures1
TPSA12.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:3
Canonical Smiles:Cl.Cl.CNCCc1ccccn1
Therapeutics:vasodilator

Found: 114 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9950±0
Normalized OD Score: sc h 0.9966±0
Z-Score: 0.9326±0
p-Value: 0.351016
Z-Factor: -8.51178
Fitness Defect: 1.0469
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|G3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.0985±0.00995
Plate DMSO Control (-):0.976±0.01594
Plate Z-Factor:0.9115
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DBLink | Rows returned: 81 2 Next >> 
2366 N-methyl-2-pyridin-2-yl-ethanamine
23330 trimethyl-(2-pyridin-2-ylethyl)azanium iodide
23331 trimethyl-(2-pyridin-2-ylethyl)azanium
68643 N-methyl-2-pyridin-2-yl-ethanamine dihydrochloride
80554 N,N-dimethyl-2-pyridin-2-yl-ethanamine
203875 N-methyl-2-pyridin-2-yl-ethanamine hydrochloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 7739 | Additional Members: 8 | Rows returned: 0
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