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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 61 62 63 64 65 66 67 68 69 70  Next >> [107]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.5168±0.00770746
Normalized OD Score: sc h 0.8962±0.0146572
Z-Score: -4.6570±0.755826
p-Value: 0.0000188424
Z-Factor: -0.133338
Fitness Defect: 10.8794
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.041075±0.00049
Plate DMSO Control (-):0.5689500000000001±0.01426
Plate Z-Factor:0.9136
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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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