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Compound InformationSONAR Target prediction
Name:

BUTAMBEN

Unique Identifier:SPE01500767
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:anesthetic (local)

Found: 107 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [107]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.3623±0.010748
Normalized OD Score: sc h 0.3946±0.00912358
Z-Score: -9.5525±0.00936631
p-Value: 1.26837e-21
Z-Factor: 0.68008
Fitness Defect: 48.1166
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038024999999999996±0.00151
Plate DMSO Control (-):0.673775±0.02917
Plate Z-Factor:0.8658
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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: 0
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