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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.7863±0.0000707107
Normalized OD Score: sc h 0.9856±0.00141742
Z-Score: 0.0363±0.0767671
p-Value: 0.956738
Z-Factor: -8.95833
Fitness Defect: 0.0442
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.0383±0.00129
Plate DMSO Control (-):0.770825±0.01013
Plate Z-Factor:0.9541
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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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