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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: VID30
Replicates: 2
Raw OD Value: r im 0.6397±0.00367696
Normalized OD Score: sc h 0.9659±0.00503381
Z-Score: -1.6418±0.267786
p-Value: 0.106732
Z-Factor: -1.81663
Fitness Defect: 2.2374
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-12-05 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00053
Plate DMSO Control (-):0.6470750000000001±0.01567
Plate Z-Factor:0.9277
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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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