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Compound InformationSONAR Target prediction
Name:

Acacetin

Unique Identifier:Prest49
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:15.05  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C=1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 17498.0000±0
Normalized OD Score: sc h 0.9842±0
Z-Score: -0.4388±0
p-Value: 0.660828
Z-Factor: -16.7102
Fitness Defect: 0.4143
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|F6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):17809.5±2259.84799
Plate DMSO Control (-):17786.5±3564.04555
Plate Z-Factor:-19.1868
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DBLink | Rows returned: 1
5280442 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 1884 | Additional Members: 20 | Rows returned: 6
SPE01500724 0.345454545454545
SPE01504115 0.294117647058823
SPE00200499 0.24
SPE01505144 0.191489361702128
SPE01500709 0.191489361702128
Prest122 0.1875

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