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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: 9 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 Next >> 
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.5779±0.0272943
Normalized OD Score: sc h 0.8820±0.00282652
Z-Score: -5.0413±0.301479
p-Value: 0.000000763484
Z-Factor: -0.662807
Fitness Defect: 14.0854
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:16|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00267
Plate DMSO Control (-):0.616375±0.03257
Plate Z-Factor:0.8742
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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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