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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 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9385±0.0208596
Normalized OD Score: sc h 1.0354±0.00245404
Z-Score: 0.7768±0.061693
p-Value: 0.437718
Z-Factor: -1.76425
Fitness Defect: 0.8262
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:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09975±0.00486
Plate DMSO Control (-):0.97275±0.03235
Plate Z-Factor:0.8501
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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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