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Compound InformationSONAR Target prediction
Name:

CARVEDILOL

Unique Identifier:SPE01504257
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.268 g/mol
X log p:23.502  (online calculus)
Lipinksi Failures1
TPSA27.69
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:10
Canonical Smiles:COc1ccccc1OCCNCC(O)COc1cccc2nc3ccccc3c21
Source:synthetic
Therapeutics:betaadrenergic blocker

Found: 205 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [205]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8120±0.00282843
Normalized OD Score: sc h 0.9988±0.00052584
Z-Score: -0.0340±0.0131097
p-Value: 0.972854
Z-Factor: -26.0491
Fitness Defect: 0.0275
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:9|A3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10250000000000001±0.01138
Plate DMSO Control (-):0.9512499999999999±0.02396
Plate Z-Factor:0.8824
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4166 | Additional Members: 1 | Rows returned: 0
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