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Compound InformationSONAR Target prediction
Name:

DIHYDRO-beta-TUBAIC ACID

Unique Identifier:SPE00211531
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16O4
Molecular Weight:220.137 g/mol
X log p:3.884  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1c2CCC(C)(C)Oc2ccc1C(O)=O
Source:derivative ex mundulone

Found: 3 active | as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.6918±0.0142836
Normalized OD Score: sc h 0.9216±0.0124384
Z-Score: -5.3474±0.808638
p-Value: 0.000000897592
Z-Factor: -0.808664
Fitness Defect: 13.9236
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.50 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00046
Plate DMSO Control (-):0.739225±0.02484
Plate Z-Factor:0.8833
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DBLink | Rows returned: 1
3548249 5-methoxy-2,2-dimethyl-chroman-6-carboxylic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 8617 | Additional Members: 1 | Rows returned: 0

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