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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.6732±0.00770746
Normalized OD Score: sc h 1.0245±0.00108777
Z-Score: 1.0018±0.0349569
p-Value: 0.316602
Z-Factor: -5.81408
Fitness Defect: 1.1501
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.041825±0.00071
Plate DMSO Control (-):0.60575±0.03111
Plate Z-Factor:0.8290
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DBLink | Rows returned: 4
4303568
4372244
6708539
6708557

internal high similarity DBLink | Rows returned: 1
SPE00200851 1.0000

active | Cluster 3220 | Additional Members: 18 | Rows returned: 101 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00201138 0.4375
SPE00200851 0.425
LAT001C04 0.315068493150685

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