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Compound InformationSONAR Target prediction
Name:

Mebhydroline 1,5-naphtalenedisulfonate

Unique Identifier:Prest605
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C48H48N4O6S2
Molecular Weight:792.669 g/mol
X log p:19.753  (online calculus)
Lipinksi Failures1
TPSA6.48
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:CN1CCc2n(Cc3ccccc3)c3ccccc3c2C1.CN1CCc2n(Cc3ccccc3)c3ccccc3c2C1.OS(=O)
(=O)c1cccc2c1cccc2S(O)(=O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2173.0000±0
Normalized OD Score: sc h 1.0378±0
Z-Score: 0.8526±0
p-Value: 0.393902
Z-Factor: -5.75817
Fitness Defect: 0.9317
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|F6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 2
22529
5702169

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4370 | Additional Members: 3 | Rows returned: 1
SPE01501116 0

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