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Compound InformationSONAR Target prediction
Name:

DAPHNETIN

Unique Identifier:SPE01504141
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H6O4
Molecular Weight:172.094 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Oc1ccc2C=CC(=O)Oc2c1O
Source:Daphne odora
Reference:Biochem Biophys Res Comm 260: 682 (1999)
Therapeutics:PK inhibitor, antimalarial

Found: 104 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [104]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.7058±0.0039598
Normalized OD Score: sc h 1.0091±0.0056448
Z-Score: 0.4321±0.260605
p-Value: 0.67098
Z-Factor: -7.71761
Fitness Defect: 0.399
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00052
Plate DMSO Control (-):0.678075±0.01809
Plate Z-Factor:0.9007
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 16396 | Additional Members: 2 | Rows returned: 0
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