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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SUR2
Replicates: 2
Raw OD Value: r im 0.7416±0.00155563
Normalized OD Score: sc h 1.0163±0.00516023
Z-Score: 0.8197±0.247206
p-Value: 0.419482
Z-Factor: -2.79119
Fitness Defect: 0.8687
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00312
Plate DMSO Control (-):0.70895±0.01151
Plate Z-Factor:0.9606
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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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