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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT024H10
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H19NO3
Molecular Weight:314.23 g/mol
X log p:24.807  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:7
Canonical Smiles:COC(=O)C(Cc1ccccc1)NC(=O)c1cccc2ccccc21

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6358±0.0026163
Normalized OD Score: sc h 0.9850±0.010636
Z-Score: -0.2949±0.326236
p-Value: 0.774018
Z-Factor: -4.10174
Fitness Defect: 0.2562
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:24|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00234
Plate DMSO Control (-):0.654525±0.00955
Plate Z-Factor:0.9586
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DBLink | Rows returned: 3
736754 methyl (2R)-2-(naphthalene-1-carbonylamino)-3-phenyl-propanoate
3555638 methyl 2-(naphthalene-1-carbonylamino)-3-phenyl-propanoate
4807316 methyl 2-(naphthalene-2-carbonylamino)-3-phenyl-propanoate

internal high similarity DBLink | Rows returned: 2
CB 5476778 1.0000
JFD 00457 1.0000

active | Cluster 10116 | Additional Members: 5 | Rows returned: 0
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