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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 101 102 103 104 105 106 107 108 109 110  Next >> [122]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.5199±0.0205768
Normalized OD Score: sc h 1.0296±0.00352708
Z-Score: 0.9353±0.136776
p-Value: 0.351878
Z-Factor: -6.54795
Fitness Defect: 1.0445
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00106
Plate DMSO Control (-):0.52945±0.09436
Plate Z-Factor:0.3795
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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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