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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 31 32 33 34 35 36 37 38 39 40  Next >> [101]
Species: 4932
Condition: ELG1
Replicates: 2
Raw OD Value: r im 0.7104±0.0120915
Normalized OD Score: sc h 1.0025±0.00526529
Z-Score: 0.1548±0.328274
p-Value: 0.818588
Z-Factor: -12.4947
Fitness Defect: 0.2002
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-10-10 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00065
Plate DMSO Control (-):0.7031000000000001±0.02148
Plate Z-Factor:0.9034
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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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