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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: 104 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [104]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.4732±0.0243952
Normalized OD Score: sc h 0.7937±0.0439014
Z-Score: -8.4564±1.39938
p-Value: 0.0000000000000410438
Z-Factor: -0.0872476
Fitness Defect: 30.8241
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00070
Plate DMSO Control (-):0.5879±0.01774
Plate Z-Factor:0.9077
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DBLink | Rows returned: 9<< Back 1 2
5353625 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-2,3,5,6-tetrahydropyrazine
5388974 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine; hydrogen(+1) cation; chloride
6365505 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl-piperazine hydrochloride

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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