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Compound InformationSONAR Target prediction
Name:

MARMESIN

Unique Identifier:SPE01504162
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H14O4
Molecular Weight:232.147 g/mol
X log p:7.932  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1
Source:ex Aegle marmelos, Amni majus

Found: 101 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [101]
Species: 4932
Condition: COT1
Replicates: 2
Raw OD Value: r im 0.7177±0.00304056
Normalized OD Score: sc h 1.0512±0.00259897
Z-Score: 2.6559±0.168552
p-Value: 0.00835352
Z-Factor: -1.01391
Fitness Defect: 4.7851
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-11-20 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00108
Plate DMSO Control (-):0.6823250000000001±0.02284
Plate Z-Factor:0.8935
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DBLink | Rows returned: 3
26305
334704
604512

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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