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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 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2124.0000±0
Normalized OD Score: sc h 1.0461±0
Z-Score: 1.0383±0
p-Value: 0.299106
Z-Factor: -4.28367
Fitness Defect: 1.207
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 (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
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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

active | Cluster 16161 | Additional Members: 10 | Rows returned: 5
SPE01505691 0.512820512820513
SPE02300241 0.493506493506494
LOPAC 00317 0.279411764705882
LOPAC 00287 0
SPE01500325 0

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