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Compound InformationSONAR Target prediction
Name:

Bromperidol

Unique Identifier:Prest781
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC21FH23NO2
Molecular Weight:397.133 g/mol
X log p:16.408  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:6
Canonical Smiles:OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18154.0000±0
Normalized OD Score: sc h 1.0102±0
Z-Score: 0.2839±0
p-Value: 0.776516
Z-Factor: -7.37303
Fitness Defect: 0.2529
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|C10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 1
2448 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16161 | Additional Members: 10 | Rows returned: 81 2 Next >> 
SPE01505691 0.512820512820513
Prest302 0.493506493506494
SPE02300241 0.493506493506494
LOPAC 00444 0.493506493506494
LOPAC 00317 0.279411764705882
Prest250 0

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