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Compound InformationSONAR Target prediction
Name:

Amfonelic Acid

Unique Identifier:LAT003C10
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

Found: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.6466±0.02786
Normalized OD Score: sc h 0.9084±0.0305733
Z-Score: -3.8508±1.42221
p-Value: 0.00221998
Z-Factor: -0.331007
Fitness Defect: 6.1103
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00248
Plate DMSO Control (-):0.695425±0.00719
Plate Z-Factor:0.9598
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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: 1
LOPAC 00271 1.0000

active | Cluster 13339 | Additional Members: 8 | Rows returned: 2
LOPAC 01087 0.285714285714286
SPE01500756 0

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