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Compound InformationSONAR Target prediction
Name:

Rotenone

Unique Identifier:LAT004F05
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

Found: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7872±0.0608112
Normalized OD Score: sc h 0.9512±0.0674218
Z-Score: -1.1624±1.66007
p-Value: 0.505186
Z-Factor: -17.1031
Fitness Defect: 0.6828
Bioactivity Statement: Outlier
Experimental Conditions
Library:LATCA
Plate Number and Position:4|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00207
Plate DMSO Control (-):0.8063999999999999±0.27232
Plate Z-Factor:-0.0698
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DBLink | Rows returned: 111 2 Next >> 
5102
6758
181732
451228
1548993
6560181

internal high similarity DBLink | Rows returned: 3
BIOMOL 385 1.0000
LOPAC 01192 1.0000
SPE00200013 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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