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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 121 122 123 124 125 126 127 128 129 130  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6353±0.00572756
Normalized OD Score: sc h 0.9717±0.00667977
Z-Score: -1.3068±0.276491
p-Value: 0.199721
Z-Factor: -4.2049
Fitness Defect: 1.6108
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00063
Plate DMSO Control (-):0.6474249999999999±0.02066
Plate Z-Factor:0.8573
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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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