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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: SPE01502223
Replicates: 2
Raw OD Value: r im 0.5501±0.0240416
Normalized OD Score: sc h 0.9703±0.0062583
Z-Score: -1.0119±0.255773
p-Value: 0.319442
Z-Factor: -4.2851
Fitness Defect: 1.1412
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00223
Plate DMSO Control (-):0.572425±0.01962
Plate Z-Factor:0.8737
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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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