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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 81 82 83 84 85 86 87 88 89 90  Next >> [104]
Species: 4932
Condition: STO1
Replicates: 2
Raw OD Value: r im 0.5595±0.0197283
Normalized OD Score: sc h 0.9940±0.00734845
Z-Score: -0.2182±0.264589
p-Value: 0.830256
Z-Factor: -9.94076
Fitness Defect: 0.186
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-12-06 YYYY-MM-DD
Plate CH Control (+):0.0424±0.00112
Plate DMSO Control (-):0.5291±0.01785
Plate Z-Factor:0.8926
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7246 | Additional Members: 18 | Rows returned: 1
LOPAC 00126 0

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