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Compound InformationSONAR Target prediction
Name:

ROTENONE

Unique Identifier:SPE00200013
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:10.102  (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:rotenoid
Source:Derris spp
Reference:Chem Rev 12: 181 (1933); Prog Chem Ord Nat Prod 43: 1 (1983)
Therapeutics:acaricide, ectoparasiticide, antineoplastic, mitochondrial poison

Found: 202 nonactive | as graph: single | with analogs [1] << Back 201 202
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4472±0.0108187
Normalized OD Score: sc h 0.9904±0.0389091
Z-Score: -0.1257±0.410968
p-Value: 0.773108
Z-Factor: -22.0805
Fitness Defect: 0.2573
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.041025±0.00106
Plate DMSO Control (-):0.5222249999999999±0.01804
Plate Z-Factor:0.8723
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DBLink | Rows returned: 101 2 Next >> 
5102
6758
181732
451228
1548993
6560181

internal high similarity DBLink | Rows returned: 5
SPE00201153 0.9278
SPE00211231 0.9278
BTB 14028 0.9438
SPE00201449 0.9438
LOPAC 01192 1.0000

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00201138 0.4375
SPE00200851 0.425
LAT001C04 0.315068493150685

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