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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 71 72 73 74 75 76 77 78 79 80  Next >> [107]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.5890±0.0116673
Normalized OD Score: sc h 0.8620±0.00866189
Z-Score: -5.0201±0.0722647
p-Value: 0.000000534218
Z-Factor: 0.440411
Fitness Defect: 14.4425
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00050
Plate DMSO Control (-):0.6775±0.01196
Plate Z-Factor:0.9267
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DBLink | Rows returned: 2
2482 butyl 4-aminobenzoate
210327 3-methylbutyl 4-aminobenzoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 13501 | Additional Members: 6 | Rows returned: 2
Prest1201 0.333333333333333
Prest994 0

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