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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 71 72 73 74 75 76 77 78 79 80  Next >> [104]
Species: 4932
Condition: SUR2
Replicates: 2
Raw OD Value: r im 0.7207±0.00367696
Normalized OD Score: sc h 1.0015±0.00746101
Z-Score: 0.0708±0.378005
p-Value: 0.789762
Z-Factor: -14.7483
Fitness Defect: 0.236
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.040499999999999994±0.00094
Plate DMSO Control (-):0.710725±0.01679
Plate Z-Factor:0.9184
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16396 | Additional Members: 2 | Rows returned: 1
LOPAC 00840 0

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