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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 411 412 413 414 415 416 417 418 419 420  Next >> [527]
Species: 4932
Condition: CCR4
Replicates: 2
Raw OD Value: r im 0.5686±0.00176777
Normalized OD Score: sc h 0.9086±0.0074776
Z-Score: -3.9012±0.350639
p-Value: 0.000146166
Z-Factor: -0.542429
Fitness Defect: 8.8308
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.70 Celcius
Date:2008-04-16 YYYY-MM-DD
Plate CH Control (+):0.041875±0.00122
Plate DMSO Control (-):0.61315±0.02421
Plate Z-Factor:0.8490
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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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