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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 501 502 503 504 505 506 507 508 509 Next >> [509]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7845±0.00558614
Normalized OD Score: sc h 0.9745±0.000850482
Z-Score: -1.2317±0.0838033
p-Value: 0.21887
Z-Factor: -2.6104
Fitness Defect: 1.5193
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:24|D4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10000000000000002±0.01065
Plate DMSO Control (-):0.937±0.02171
Plate Z-Factor:0.8948
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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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