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Compound InformationSONAR Target prediction
Name:

4-ACETOXYPHENOL

Unique Identifier:SPE00240740
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:144.084 g/mol
X log p:8.326  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)Oc1ccc(O)cc1
Class:aromatic
Source:Ferulago aucheri, Salvia yosgadensis
Therapeutics:antioxidant

Found: 594 nonactive | as graph: single | with analogs [1] << Back 461 462 463 464 465 466 467 468 469 470  Next >> [594]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.6401±0.00367696
Normalized OD Score: sc h 0.8714±0.00207861
Z-Score: -3.4757±0.0675869
p-Value: 0.000517082
Z-Factor: 0.297631
Fitness Defect: 7.5673
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.03875±0.00135
Plate DMSO Control (-):0.760575±0.01986
Plate Z-Factor:0.9112
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DBLink | Rows returned: 3
70987 (4-methoxyphenyl) acetate
71006 (4-acetyloxyphenyl) acetate
96009 (4-hydroxyphenyl) acetate

internal high similarity DBLink | Rows returned: 1
RJC 02997 0.9429

active | Cluster 14842 | Additional Members: 6 | Rows returned: 1
SPE01504041 0.560975609756098

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