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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT015G04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H24O7
Molecular Weight:460.306 g/mol
X log p:33.735  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:10
Canonical Smiles:OC(COc1ccc(c(O)c1)C(=O)c1ccccc1)COc1ccc(c(O)c1)C(=O)c1ccccc1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.7180±0.010748
Normalized OD Score: sc h 1.0066±0.00930931
Z-Score: 0.3781±0.4104
p-Value: 0.716978
Z-Factor: -17.1719
Fitness Defect: 0.3327
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:15|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00182
Plate DMSO Control (-):0.7021±0.01681
Plate Z-Factor:0.9225
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DBLink | Rows returned: 2
1242235 [4-[3-(4-benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl]-phenyl-methanone
4028488 [4-[3-(4-benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]phenyl]-(2-hydroxyphenyl)methanone

internal high similarity DBLink | Rows returned: 1
CB 5468086 1.0000

active | Cluster 9214 | Additional Members: 5 | Rows returned: 2
Prest1270 0.42
SPE01500451 0.42

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