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Compound InformationSONAR Target prediction
Name:

ICHTHYNONE

Unique Identifier:SPE00102018
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:388.242 g/mol
X log p:13.829  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:COc1cc2C(=O)C(=COc2c2C=CC(C)(C)Oc12)c1cc2OCOc2cc1OC
Class:isoflavone
Source:Piscidia erythrina and Millettia rubiginosa
Reference:Tetrahedron 20:1317 (1964); J Chem Soc(C) 1969:1787
Therapeutics:piscicide

Found: 15 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.4064±0.0154149
Normalized OD Score: sc h 0.5819±0.0245204
Z-Score: -13.2838±1.08714
p-Value: 3.08556e-36
Z-Factor: 0.669443
Fitness Defect: 81.7663
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-05-02 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00116
Plate DMSO Control (-):0.68815±0.01459
Plate Z-Factor:0.9165
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DBLink | Rows returned: 1
3428129

internal high similarity DBLink | Rows returned: 1
RJC 01111 0.9522

nonactive | Cluster 13403 | Additional Members: 2 | Rows returned: 1
SPE00210556 0.447368421052632

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