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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT015C09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H16O3
Molecular Weight:192.127 g/mol
X log p:6.422  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CCCCCC(=O)c1ccc(O)cc1O

Found: 3 active | as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7133±0.0237588
Normalized OD Score: sc h 0.8962±0.0398252
Z-Score: -4.3145±0.634279
p-Value: 0.0000562696
Z-Factor: -0.67765
Fitness Defect: 9.7854
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:15|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039375±0.00173
Plate DMSO Control (-):0.796325±0.01482
Plate Z-Factor:0.9548
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DBLink | Rows returned: 3
76596 1-(2,4-dihydroxyphenyl)hexan-1-one
283375 1,6-bis(2,4-dihydroxyphenyl)hexane-1,6-dione
6917096 1-(2,4,6-trihydroxyphenyl)hexan-1-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16963 | Additional Members: 14 | Rows returned: 92 Next >> 
LAT017G05 0.517241379310345
SPE00100616 0.462962962962963
LAT017D05 0.454545454545455
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364
LAT016E11 0.306122448979592

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