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Compound InformationSONAR Target prediction
Name:

beta-DIHYDROROTENONE

Unique Identifier:SPE00201153
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H24O6
Molecular Weight:374.258 g/mol
X log p:9.076  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1cc2OCC3Oc4c5CCC(C)(C)Oc5ccc4C(=O)C3c2cc1OC
Source:derivative
Reference:Chem Rev 12: 181 (1933)

Found: 101 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.6688±0.00155563
Normalized OD Score: sc h 1.0218±0.0177524
Z-Score: 1.0987±0.880926
p-Value: 0.359662
Z-Factor: -6.35373
Fitness Defect: 1.0226
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.039925±0.00095
Plate DMSO Control (-):0.644075±0.02619
Plate Z-Factor:0.8537
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DBLink | Rows returned: 2
4667269
6710701

internal high similarity DBLink | Rows returned: 6
SPE00201477 0.9231
LOPAC 01192 0.9278
SPE00200013 0.9278
BTB 14028 0.9824
SPE00201449 0.9824
SPE00211231 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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