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Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID METHYL ETHER

Unique Identifier:SPE00240660
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
Molecular Weight:372.242 g/mol
X log p:15.454  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1OC
Source:ex Derris spp; mp 194--196 C

Found: 9 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6670±0.04278
Normalized OD Score: sc h 1.4342±0.0523021
Z-Score: 9.1087±0.325348
p-Value: 3.43338e-19
Z-Factor: 0.380433
Fitness Defect: 42.5156
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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DBLink | Rows returned: 1
4262362

internal high similarity DBLink | Rows returned: 1
SPE00240673 0.9040

nonactive | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240673 0.272727272727273

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