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Compound InformationSONAR Target prediction
Name:

Flunarizine dihydrochloride

Unique Identifier:Prest222
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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2059.0000±0
Normalized OD Score: sc h 0.9900±0
Z-Score: -0.2248±0
p-Value: 0.822168
Z-Factor: -6.88232
Fitness Defect: 0.1958
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:4|H3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.70 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1024±959.34887
Plate DMSO Control (-):2047±547.49039
Plate Z-Factor:-4.6829
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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: 0

active | Cluster 3056 | Additional Members: 6 | Rows returned: 3
LOPAC 00778 0.230769230769231
SPE01500993 0
LOPAC 00190 0

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