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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 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8675±0.00120208
Normalized OD Score: sc h 0.0776±0.00135784
Z-Score: -46.8824±1.06215
p-Value: 0
Z-Factor: 0.900098
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:6|A3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08725±0.00370
Plate DMSO Control (-):0.9445±0.02697
Plate Z-Factor:0.8822
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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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