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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 91 92 93 94 95 96 97 98 99 100  Next >> [104]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6893±0.0127986
Normalized OD Score: sc h 1.0048±0.00323429
Z-Score: 0.2510±0.171925
p-Value: 0.803238
Z-Factor: -15.268
Fitness Defect: 0.2191
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.0422±0.00092
Plate DMSO Control (-):0.655575±0.01578
Plate Z-Factor:0.9344
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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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