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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 21 22 23 24 25 26 27 28 29 30  Next >> [107]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.6041±0.0243952
Normalized OD Score: sc h 0.8721±0.0236378
Z-Score: -6.1964±1.03337
p-Value: 0.0000000230588
Z-Factor: -0.079074
Fitness Defect: 17.5852
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:20.80 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.0417±0.00060
Plate DMSO Control (-):0.680275±0.01457
Plate Z-Factor:0.9234
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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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