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Compound InformationSONAR Target prediction
Name:

Flunarizine dihydrochloride

Unique Identifier:LOPAC 00190
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26Cl2F2H28N2
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
Class:Ion Pump
Action:Blocker
Selectivity:Na+/Ca2+ channel

Found: 20 nonactive | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20 Next >> 
Species: 4932
Condition: SQS1
Replicates: 2
Raw OD Value: r im 0.8583±0.135411
Normalized OD Score: sc h 1.1493±0.183351
Z-Score: 6.4482±7.50018
p-Value: 0.126156
Z-Factor: -3.01791
Fitness Defect: 2.0702
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:7|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-21 YYYY-MM-DD
Plate CH Control (+):0.049350000000000005±0.00134
Plate DMSO Control (-):0.7559499999999999±0.03392
Plate Z-Factor:0.8767
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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: 1
SPE01500993 1.0000

active | Cluster 3056 | Additional Members: 6 | Rows returned: 2
LOPAC 00778 0.230769230769231
SPE01500993 0

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