Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 1 2 3 4 5 6 7 8 9 10  Next >> [509]
Species: 4932
Condition: SPE00100009
Replicates: 2
Raw OD Value: r im 0.5949±0.00685894
Normalized OD Score: sc h 1.0238±0.00299421
Z-Score: 0.8202±0.157567
p-Value: 0.414992
Z-Factor: -150.873
Fitness Defect: 0.8795
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039150000000000004±0.00200
Plate DMSO Control (-):0.60635±0.04215
Plate Z-Factor:0.7720
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory