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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: 527 nonactive | as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [527]
Species: 4932
Condition: SPE00100005
Replicates: 2
Raw OD Value: r im 0.0587±0.000848528
Normalized OD Score: sc h 0.9284±0.00126742
Z-Score: -0.5303±0.0677114
p-Value: 0.596348
Z-Factor: -2.76658
Fitness Defect: 0.5169
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.038775±0.00149
Plate DMSO Control (-):0.07377500000000001±0.27218
Plate Z-Factor:-2.3606
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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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