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Compound InformationSONAR Target prediction
Name:

Rotenone

Unique Identifier:LAT001E04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
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

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4987±0.00579828
Normalized OD Score: sc h 0.8027±0.0215708
Z-Score: -5.4616±1.0243
p-Value: 0.00000108325
Z-Factor: -12.4884
Fitness Defect: 13.7355
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:1|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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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

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444

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