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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 11 12 13 14 15 16 17 18 19 20  Next >> [509]
Species: 4932
Condition: BBR_HET_tri_24h
Replicates: 2
Raw OD Value: r im 0.8123±0.00509117
Normalized OD Score: sc h 0.9985±0.00731316
Z-Score: -0.0304±0.306819
p-Value: 0.828322
Z-Factor: -10.0726
Fitness Defect: 0.1884
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2007-04-11 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00176
Plate DMSO Control (-):0.794675±0.01899
Plate Z-Factor:0.9426
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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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