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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 51 52 53 54 55 56 57 58 59 60  Next >> [179]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.6602±0.0290621
Normalized OD Score: sc h 0.8842±0.0576632
Z-Score: -3.0140±1.92265
p-Value: 0.0490226
Z-Factor: -1.18875
Fitness Defect: 3.0155
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.0381±0.00123
Plate DMSO Control (-):0.735625±0.02385
Plate Z-Factor:0.8847
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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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