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Compound InformationSONAR Target prediction
Name:

Unique Identifier:2188-2624
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H14O6
Molecular Weight:312.189 g/mol
X log p:13.425  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:Oc1cc(O)c2C(=O)C(=COc2c1)c1ccc2OCCCOc2c1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: rpl9-2nd
Replicates: 2
Raw OD Value: r im 0.8479±0.0598919
Normalized OD Score: sc h 0.9553±0.0611403
Z-Score: -1.3617±1.85823
p-Value: 0.484684
Z-Factor: -8.04101
Fitness Defect: 0.7243
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:3|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.0428±0.00236
Plate DMSO Control (-):0.88655±0.03637
Plate Z-Factor:0.9105
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DBLink | Rows returned: 1
5413007 3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-5,7-dihydroxy-chromen-4-one

internal high similarity DBLink | Rows returned: 1
2188-2621 0.9401

nonactive | Cluster 14679 | Additional Members: 9 | Rows returned: 6
SPE01500726 0.362068965517241
SPE00210296 0.269230769230769
LOPAC 00433 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059
SPE10100003 0

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