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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: 509 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [509]
Species: 4932
Condition: BBR_HAL_tri_24h
Replicates: 2
Raw OD Value: r im 0.3606±0.0360624
Normalized OD Score: sc h 0.7744±0.0545545
Z-Score: -1.6986±0.331884
p-Value: 0.0982004
Z-Factor: -1.44541
Fitness Defect: 2.3207
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2007-04-11 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00182
Plate DMSO Control (-):0.520975±0.15499
Plate Z-Factor:0.1239
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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

active | Cluster 5376 | Additional Members: 64 | Rows returned: 1
HTS 03696 0.367647058823529

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