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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 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6770±0.00190919
Normalized OD Score: sc h 0.9888±0.00416874
Z-Score: 0.0740±0.213563
p-Value: 0.880292
Z-Factor: -45.2845
Fitness Defect: 0.1275
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:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09325±0.00348
Plate DMSO Control (-):0.7475±0.02359
Plate Z-Factor:0.8668
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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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