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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 521 522 523 524 525 526 527 Next >> [527]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7573±0.0161927
Normalized OD Score: sc h 0.9608±0.0030082
Z-Score: -2.2434±0.0864941
p-Value: 0.0251398
Z-Factor: -1.2126
Fitness Defect: 3.6833
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00065
Plate DMSO Control (-):0.7730250000000001±0.01776
Plate Z-Factor:0.9197
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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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