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Compound InformationSONAR Target prediction
Name:

Benperidol

Unique Identifier:Prest778
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22FH24N3O2
Molecular Weight:357.253 g/mol
X log p:16.337  (online calculus)
Lipinksi Failures1
TPSA40.62
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:6
Canonical Smiles:Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)N1C(=O)Nc2ccccc12

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18660.0000±0
Normalized OD Score: sc h 1.0235±0
Z-Score: 0.6542±0
p-Value: 0.512996
Z-Factor: -5.28536
Fitness Defect: 0.6675
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|A5
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: 4
16363 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-3H-benzoimidazol-2-one
71744 1-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-3H-benzoimidazol-2-one
450927 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-3H-benzoimidazol-2-one
3018492 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-3H-benzoimidazol-2-one hydrochloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 5771 | Additional Members: 4 | Rows returned: 0
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