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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 61 62 63 64 65 66 67 68 69 70  Next >> [205]
Species: 4932
Condition: SKT5
Replicates: 2
Raw OD Value: r im 0.7729±0.115541
Normalized OD Score: sc h 1.1100±0.159079
Z-Score: 5.4883±7.93627
p-Value: 0.45085
Z-Factor: -3.61373
Fitness Defect: 0.7966
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-06-17 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00090
Plate DMSO Control (-):0.684225±0.01536
Plate Z-Factor:0.9234
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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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