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Compound InformationSONAR Target prediction
Name:

DIOXYBENZONE

Unique Identifier:SPE01500255
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:15.527  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(O)c1)C(=O)c1ccccc1O
Source:synthetic
Therapeutics:ultraviolet screen

Found: 510 nonactive | as graph: single | with analogs [1] << Back 451 452 453 454 455 456 457 458 459 460  Next >> [510]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.5025±0.0304056
Normalized OD Score: sc h 0.8999±0.0237984
Z-Score: -1.6779±0.249714
p-Value: 0.0984666
Z-Factor: -0.30713
Fitness Defect: 2.318
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00164
Plate DMSO Control (-):0.511225±0.01196
Plate Z-Factor:0.8841
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DBLink | Rows returned: 3
8569 (2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone
8570 bis(2-hydroxy-4-methoxy-phenyl)methanone
81876 (2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxy-phenyl)methanone

internal high similarity DBLink | Rows returned: 3
NRB 01079 0.9063
SPE00201081 0.9063
SPE01500451 0.9831

active | Cluster 15651 | Additional Members: 8 | Rows returned: 2
LAT010C02 0.5
LAT015B02 0.416666666666667

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