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Compound InformationSONAR Target prediction
Name:

FIPEXIDE HYDROCHLORIDE

Unique Identifier:SPE01503222
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20Cl2H22N2O4
Molecular Weight:403.13 g/mol
X log p:16.306  (online calculus)
Lipinksi Failures1
TPSA51.24
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:Cl.Clc1ccc(OCC(=O)N2CCN(CC2)Cc2ccc3OCOc3c2)cc1
Therapeutics:psychostimulant

Found: 18 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE00201610
Replicates: 2
Raw OD Value: r im 0.1320±0
Normalized OD Score: sc h 0.4850±0
Z-Score: -4.5867±0
p-Value: 0.00000450364
Z-Factor: 0.424844
Fitness Defect: 12.3106
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04145±0.00100
Plate DMSO Control (-):0.27215±0.02619
Plate Z-Factor:0.6408
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DBLink | Rows returned: 3
3351 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
161803 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone hydrochloride
6957679 1-[4-(benzo[1,3]dioxol-5-ylmethyl)-2,3,5,6-tetrahydropyrazin-1-yl]-2-(4-chlorophenoxy)ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5376 | Additional Members: 64 | Rows returned: 2
Prest601 0.405797101449275
HTS 03696 0.367647058823529

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