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Compound InformationSONAR Target prediction
Name:

ROTENONIC ACID, METHYL ETHER

Unique Identifier:SPE00240590
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:386.269 g/mol
X log p:11.726  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:COc1cc2OCC3Oc4c(CC=C(C)C)c(OC)ccc4C(=O)C3c2cc1OC
Class:rotenoid
Source:derivative

Found: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: GYP1
Replicates: 2
Raw OD Value: r im 0.7291±0.00141421
Normalized OD Score: sc h 1.0194±0.00197663
Z-Score: 1.0676±0.109043
p-Value: 0.287122
Z-Factor: -2.76471
Fitness Defect: 1.2478
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-06-10 YYYY-MM-DD
Plate CH Control (+):0.042075±0.00062
Plate DMSO Control (-):0.6975750000000001±0.01539
Plate Z-Factor:0.9212
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DBLink | Rows returned: 4
4303568
4372244
6708539
6708557

internal high similarity DBLink | Rows returned: 1
SPE00200851 1.0000

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00201138 0.4375

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