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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 161 162 163 164 165 166 167 168 169 170  Next >> [179]
Species: 4932
Condition: STO1
Replicates: 2
Raw OD Value: r im 0.5593±0.011738
Normalized OD Score: sc h 1.0126±0.00182891
Z-Score: 0.4465±0.0731709
p-Value: 0.655664
Z-Factor: -5.16865
Fitness Defect: 0.4221
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-12-06 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00033
Plate DMSO Control (-):0.527575±0.01990
Plate Z-Factor:0.8692
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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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