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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: 20 nonactive | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20 Next >> 
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.7977±0.027365
Normalized OD Score: sc h 0.9599±0.0273168
Z-Score: -2.8358±1.71816
p-Value: 0.052544
Z-Factor: -1.98236
Fitness Defect: 2.9461
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:7|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.039225±0.00203
Plate DMSO Control (-):0.811725±0.00871
Plate Z-Factor:0.9656
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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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