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Compound InformationSONAR Target prediction
Name:

ISOROTENONE

Unique Identifier:SPE00200015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:374.258 g/mol
X log p:11.448  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1cc2OCC3Oc4c(ccc5oc(cc54)C(C)C)C(=O)C3c2cc1OC
Class:rotenoid
Source:semisynthetic
Reference:Chem Rev 12, 181 (1933); J Chem Soc 1966:749

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.7800±0.00848528
Normalized OD Score: sc h 1.0268±0.0199587
Z-Score: 0.8940±0.660717
p-Value: 0.421468
Z-Factor: -5.29327
Fitness Defect: 0.864
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09625±0.00629
Plate DMSO Control (-):0.9305000000000001±0.05108
Plate Z-Factor:0.6801
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DBLink | Rows returned: 2
3503071
6453092

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444
SPE00201138 0.4375

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