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Compound InformationSONAR Target prediction
Name:

Unique Identifier:2188-2621
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H16O6
Molecular Weight:324.2 g/mol
X log p:11.322  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:CC1Oc2cc(O)cc(O)c2C(=O)C=1c1ccc2OCCCOc2c1

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: gpr1-2nd
Replicates: 2
Raw OD Value: r im 0.8875±0.0205061
Normalized OD Score: sc h 1.0464±0.0320991
Z-Score: 1.1272±0.621045
p-Value: 0.304352
Z-Factor: -2.67251
Fitness Defect: 1.1896
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:3|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.04515000000000001±0.00356
Plate DMSO Control (-):0.86605±0.03579
Plate Z-Factor:0.9060
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DBLink | Rows returned: 1
5394360 3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-5,7-dihydroxy-2-methyl-chromen-4-one

internal high similarity DBLink | Rows returned: 1
2188-2624 0.9401

active | Cluster 7962 | Additional Members: 5 | Rows returned: 0

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