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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: VBA3
Replicates: 2
Raw OD Value: r im 0.6631±0.00282843
Normalized OD Score: sc h 0.9632±0.00504907
Z-Score: -1.9330±0.280825
p-Value: 0.0579462
Z-Factor: -1.52211
Fitness Defect: 2.8482
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00042
Plate DMSO Control (-):0.662875±0.01577
Plate Z-Factor:0.9184
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DBLink | Rows returned: 2
3649024
6708816

internal high similarity DBLink | Rows returned: 0

active | Cluster 302 | Additional Members: 10 | Rows returned: 4
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

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