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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 471 472 473 474 475 476 477 478 479 480  Next >> [509]
Species: 4932
Condition: RPL9B
Replicates: 2
Raw OD Value: r im 0.7566±0.00431335
Normalized OD Score: sc h 0.9575±0.0202619
Z-Score: -1.2522±0.542913
p-Value: 0.243534
Z-Factor: -2.8303
Fitness Defect: 1.4125
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-10 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00244
Plate DMSO Control (-):0.7685250000000001±0.02455
Plate Z-Factor:0.8894
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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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