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Compound InformationSONAR Target prediction
Name:

4-AMINO-3- (5-CHLOROTHIEN-2-YL)BUTANOIC ACID

Unique Identifier:SPE01502143
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8ClH10NO2S
Molecular Weight:209.61 g/mol
X log p:3.82  (online calculus)
Lipinksi Failures0
TPSA42.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:NCC(CC(O)=O)c1sc(Cl)cc1
Reference:J Med Chem 34: 2557 (1991); Eur J Pharmacol 221: 145 (1992)
Therapeutics:GABAb central agonist, GABAb gp illeum antagonist

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6586±0.00459619
Normalized OD Score: sc h 1.0034±0.00273603
Z-Score: 0.1830±0.140272
p-Value: 0.855494
Z-Factor: -14.277
Fitness Defect: 0.1561
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00175
Plate DMSO Control (-):0.6377±0.00902
Plate Z-Factor:0.9444
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DBLink | Rows returned: 1
125917 4-amino-3-(5-chlorothiophen-2-yl)butanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 10253 | Additional Members: 6 | Rows returned: 0
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