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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: 179 nonactive | as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [179]
Species: 4932
Condition: GIM4
Replicates: 2
Raw OD Value: r im 0.7379±0.00289914
Normalized OD Score: sc h 1.0237±0.00899346
Z-Score: 1.1025±0.43109
p-Value: 0.292212
Z-Factor: -5.00296
Fitness Defect: 1.2303
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00089
Plate DMSO Control (-):0.706575±0.02694
Plate Z-Factor:0.8769
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DBLink | Rows returned: 1
3428129

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

active | Cluster 13403 | Additional Members: 2 | Rows returned: 0
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