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Compound InformationSONAR Target prediction
Name:

Daphnetin

Unique Identifier:LOPAC 00840
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H6O4
Molecular Weight:172.094 g/mol
X log p:8.826  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2C=CC(=O)Oc2c1O
Class:Phosphorylation
Action:Inhibitor
Selectivity:PK

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8477±0.0248194
Normalized OD Score: sc h 0.9989±0.0197896
Z-Score: -0.1511±1.45355
p-Value: 0.309534
Z-Factor: -11.9095
Fitness Defect: 1.1727
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.3314±0.21684
Plate DMSO Control (-):0.813625±0.01988
Plate Z-Factor:0.4359
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DBLink | Rows returned: 1
5280569 7,8-dihydroxychromen-2-one

internal high similarity DBLink | Rows returned: 3
SPE01502242 0.9063
SPE01500899 0.9348
SPE01504069 0.9375

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

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