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Compound InformationSONAR Target prediction
Name:

MARMESIN ACETATE

Unique Identifier:SPE01504163
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:8.405  (online calculus)
Lipinksi Failures1
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC(C)(C)C1Cc2cc3C=CC(=O)Oc3cc2O1
Class:coumarin
Source:Amyris elemifera

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6952±0.0222032
Normalized OD Score: sc h 0.9862±0.00382824
Z-Score: 0.0465±0.11843
p-Value: 0.933334
Z-Factor: -22.7077
Fitness Defect: 0.069
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041275000000000006±0.00085
Plate DMSO Control (-):0.696775±0.01090
Plate Z-Factor:0.9517
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DBLink | Rows returned: 2
3649024
6708816

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504162 0.375

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