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Compound InformationSONAR Target prediction
Name:

Butamben

Unique Identifier:Prest994
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H15NO2
Molecular Weight:178.123 g/mol
X log p:7.721  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CCCCOC(=O)c1ccc(N)cc1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1256.0000±0
Normalized OD Score: sc h 1.1063±0
Z-Score: 2.3952±0
p-Value: 0.0166096
Z-Factor: -8.03658
Fitness Defect: 4.0978
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|E2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):870.5±769.75857
Plate DMSO Control (-):982.5±305.13061
Plate Z-Factor:-45.8313
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DBLink | Rows returned: 2
2482 butyl 4-aminobenzoate
210327 3-methylbutyl 4-aminobenzoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 13501 | Additional Members: 6 | Rows returned: 1
SPE01500767 0

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