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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 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.0513±0.0019799
Normalized OD Score: sc h 0.0847±0.00358232
Z-Score: -42.6790±1.67295
p-Value: 0
Z-Factor: 0.0297253
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.30 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00066
Plate DMSO Control (-):0.5861±0.15496
Plate Z-Factor:0.1431
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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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