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Compound InformationSONAR Target prediction
Name:

Trifluperidol hydrochloride

Unique Identifier:LOPAC 00317
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClF4H24NO2
Molecular Weight:421.687 g/mol
X log p:16.535  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2

Found: 15 nonactive | as graph: single | with analogs << Back 11 12 13 14 15
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6689±0.0379716
Normalized OD Score: sc h 1.0447±0.0425892
Z-Score: 1.2755±1.12497
p-Value: 0.334784
Z-Factor: -3.52362
Fitness Defect: 1.0943
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.047475±0.00156
Plate DMSO Control (-):0.666825±0.09333
Plate Z-Factor:0.8067
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DBLink | Rows returned: 2
5567 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one
16361 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydropyridin-1-yl]butan-1-one
chloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 16161 | Additional Members: 10 | Rows returned: 4
SPE01505691 0.512820512820513
SPE02300241 0.493506493506494
LOPAC 00287 0
SPE01500325 0

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