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Compound InformationSONAR Target prediction
Name:

FLUNARIZINE HYDROCHLORIDE

Unique Identifier:SPE01500993
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:vasodilator

Found: 122 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [122]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.4264±0.00388909
Normalized OD Score: sc h 0.9043±0.00783414
Z-Score: -1.7364±0.221823
p-Value: 0.0862618
Z-Factor: -0.450043
Fitness Defect: 2.4504
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039075±0.00141
Plate DMSO Control (-):0.4631±0.01676
Plate Z-Factor:0.8209
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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: 2
LOPAC 00778 0.9024
LOPAC 00190 1.0000

active | Cluster 3056 | Additional Members: 6 | Rows returned: 2
LOPAC 00778 0.230769230769231
LOPAC 00190 0

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