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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 1 2 3 4 5 6 7 8 9 10  Next >> [107]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.5087±0.0158392
Normalized OD Score: sc h 0.7949±0.0103465
Z-Score: -7.6385±0.118612
p-Value: 0.0000000000000267106
Z-Factor: 0.296559
Fitness Defect: 31.2537
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00060
Plate DMSO Control (-):0.61985±0.02294
Plate Z-Factor:0.9001
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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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