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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5757±0.00403051
Normalized OD Score: sc h 0.9629±0.0132749
Z-Score: -1.0300±0.444457
p-Value: 0.326524
Z-Factor: -2.03805
Fitness Defect: 1.1193
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:14|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.039175±0.00238
Plate DMSO Control (-):0.6076999999999999±0.01506
Plate Z-Factor:0.9270
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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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