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Compound InformationSONAR Target prediction
Name:

Droperidol

Unique Identifier:LOPAC 00821
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22FH22N3O2
Molecular Weight:357.253 g/mol
X log p:21.208  (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(C=C1)N1C(=O)Nc2ccccc12
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.4626±0.00516188
Normalized OD Score: sc h 0.9931±0.00273623
Z-Score: -0.2398±0.10089
p-Value: 0.810978
Z-Factor: -21.3789
Fitness Defect: 0.2095
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2005-11-29 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00078
Plate DMSO Control (-):0.45547499999999996±0.01619
Plate Z-Factor:0.8461
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DBLink | Rows returned: 1
6603813 1-[(4S)-1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,4-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5771 | Additional Members: 4 | Rows returned: 3
Prest778 0.44047619047619
Prest705 0
SPE01501002 0

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