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Compound InformationSONAR Target prediction
Name:

BISOPROLOL FUMARATE

Unique Identifier:SPE01505704
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H35NO8
Molecular Weight:406.237 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.OC(=O)C=CC(O)=O
Source:synthetic; CL-297939
Therapeutics:beta-blocker, antihypertensive

Found: 104 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.8070±0
Normalized OD Score: sc h 0.9803±0
Z-Score: -0.4649±0
p-Value: 0.642002
Z-Factor: -6.27025
Fitness Defect: 0.4432
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.0855±0.00129
Plate DMSO Control (-):0.787±0.02244
Plate Z-Factor:0.8985
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7246 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
LOPAC 00725 0.416666666666667
Prest779 0.416666666666667
Prest1084 0.406779661016949
SPE01503632 0.358490566037736
Prest742 0.358490566037736
Prest1009 0.333333333333333

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