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Compound InformationSONAR Target prediction
Name:

Flunarizine dihydrochloride

Unique Identifier:LOPAC 00190
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26Cl2F2H28N2
Molecular Weight:449.194 g/mol
X log p:32.214  (online calculus)
Lipinksi Failures1
TPSA6.48
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:Cl.Cl.Fc1ccc(cc1)C(N1CCN(CC1)CC=Cc1ccccc1)c1ccc(F)cc1
Class:Ion Pump
Action:Blocker
Selectivity:Na+/Ca2+ channel

Found: 4 active | as graph: single | with analogs 1 2 3 4 Next >> 
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.4239±0.0557484
Normalized OD Score: sc h 0.7880±0.0888445
Z-Score: -4.0558±3.00426
p-Value: 0.0000588152
Z-Factor: -6.78317
Fitness Defect: 9.7411
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:7|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.045787499999999995±0.00080
Plate DMSO Control (-):0.7115625±0.13924
Plate Z-Factor:0.1861
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DBLink | Rows returned: 91 2 Next >> 
3377 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-2,3,5,6-tetrahydropyrazine
3378 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine
35353 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine dihydrochloride
941361 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine
1711971 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine
5282407 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine dihydrochloride

internal high similarity DBLink | Rows returned: 1
SPE01500993 1.0000

active | Cluster 3056 | Additional Members: 6 | Rows returned: 2
LOPAC 00778 0.230769230769231
SPE01500993 0

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