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Compound InformationSONAR Target prediction
Name:

Amfonelic acid

Unique Identifier:LOPAC 00271
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16N2O3
Molecular Weight:292.204 g/mol
X log p:15.79  (online calculus)
Lipinksi Failures1
TPSA49.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CCN1C=C(C(O)=O)C(=O)c2ccc(Cc3ccccc3)nc12
Class:Dopamine
Action:Modulator

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: SAP30
Replicates: 2
Raw OD Value: r im 0.8171±0.00502046
Normalized OD Score: sc h 1.0013±0.00308277
Z-Score: 0.1056±0.258759
p-Value: 0.85562
Z-Factor: -12.2385
Fitness Defect: 0.1559
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.038900000000000004±0.00144
Plate DMSO Control (-):0.78355±0.01566
Plate Z-Factor:0.9616
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DBLink | Rows returned: 1
2137 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 13339 | Additional Members: 8 | Rows returned: 5
K679-0068 0.39344262295082
LAT003C10 0.379310344827586
LOPAC 01087 0.285714285714286
Prest827 0.285714285714286
SPE01500756 0

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