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Compound InformationSONAR Target prediction
Name:

Rotenone

Unique Identifier:LOPAC 01192
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
Molecular Weight:374.258 g/mol
X log p:9.415  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)=C
Class:Cell Stress
Action:Modulator
Selectivity:Mitochondria

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.5859±0.118794
Normalized OD Score: sc h 0.9096±0.149963
Z-Score: -4.3343±7.18869
p-Value: 0.226964
Z-Factor: -7.88332
Fitness Defect: 1.483
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:14|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00424
Plate DMSO Control (-):0.6464749999999999±0.04886
Plate Z-Factor:0.8039
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DBLink | Rows returned: 101 2 Next >> 
5102
6758
181732
451228
1548993
6560181

internal high similarity DBLink | Rows returned: 5
BTB 14028 0.9247
SPE00201153 0.9278
SPE00211231 0.9278
SPE00201449 0.9438
SPE00200013 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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