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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: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.8111±0.0127279
Normalized OD Score: sc h 0.9986±0.0146276
Z-Score: 0.0558±0.878063
p-Value: 0.53531
Z-Factor: -149.936
Fitness Defect: 0.6249
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00150
Plate DMSO Control (-):0.79905±0.01174
Plate Z-Factor:0.9475
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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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