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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 71 72 73 74 75 76 77 78 79 80  Next >> [527]
Species: 4932
Condition: SPE00100513
Replicates: 2
Raw OD Value: r im 0.5446±0.0130108
Normalized OD Score: sc h 1.0114±0.00420165
Z-Score: 0.3216±0.110501
p-Value: 0.748486
Z-Factor: -12.9978
Fitness Defect: 0.2897
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:21.90 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.0377±0.00161
Plate DMSO Control (-):0.5444249999999999±0.02140
Plate Z-Factor:0.8481
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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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