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Compound InformationSONAR Target prediction
Name:

OXYBENZONE

Unique Identifier:SPE01500451
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:216.148 g/mol
X log p:17.116  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(O)c1)C(=O)c1ccccc1
Source:synthetic
Therapeutics:ultraviolet screen

Found: 173 active | as graph: single | with analogs [1] << Back 171 172 173 Next >> [173]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.6859±0.0406586
Normalized OD Score: sc h 0.8954±0.00172148
Z-Score: -6.0129±0.789931
p-Value: 0.0000000246026
Z-Factor: 0.0599722
Fitness Defect: 17.5204
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:17|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0465±0.00299
Plate DMSO Control (-):0.735275±0.02365
Plate Z-Factor:0.9203
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DBLink | Rows returned: 4
4632 (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone
10175 (2,6-dihydroxy-4-methoxy-phenyl)-phenyl-methanone
96154 (2-hydroxy-4-methoxy-phenyl)-(4-methoxyphenyl)methanone
282356 (2-hydroxy-4-methoxy-phenyl)-(4-hydroxyphenyl)methanone

internal high similarity DBLink | Rows returned: 3
NRB 01079 0.9206
SPE00201081 0.9206
SPE01500255 0.9831

active | Cluster 9214 | Additional Members: 5 | Rows returned: 1
Prest1270 0.42

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