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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: 509 nonactive | as graph: single | with analogs [1] << Back 481 482 483 484 485 486 487 488 489 490  Next >> [509]
Species: 4932
Condition: RPL9B
Replicates: 2
Raw OD Value: r im 0.8081±0.0548715
Normalized OD Score: sc h 0.9925±0.0356061
Z-Score: -0.2493±1.07196
p-Value: 0.46238
Z-Factor: -3780.93
Fitness Defect: 0.7714
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-03-10 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00128
Plate DMSO Control (-):0.8259000000000001±0.01732
Plate Z-Factor:0.9578
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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

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

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