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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 101 102 103 104 Next >> [104]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.7189±0.0135057
Normalized OD Score: sc h 1.0088±0.0105071
Z-Score: 0.4340±0.518567
p-Value: 0.68482
Z-Factor: -6.76834
Fitness Defect: 0.3786
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.042825±0.00052
Plate DMSO Control (-):0.6949000000000001±0.01677
Plate Z-Factor:0.9271
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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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