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Compound InformationSONAR Target prediction
Name:

DIHYDROROTENONE

Unique Identifier:SPE00201449
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:374.258 g/mol
X log p:9.412  (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:rotenoid
Source:derivative; mp 209-211 C
Reference:Chem Rev 12: 181 (1933)

Found: 586 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [586]
Species: 4932
Condition: SPE00100005
Replicates: 2
Raw OD Value: r im 0.0486±0.000353553
Normalized OD Score: sc h 0.6687±0.0107084
Z-Score: -2.2854±0.0632214
p-Value: 0.0224202
Z-Factor: -2.39172
Fitness Defect: 3.7978
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.039624999999999994±0.00108
Plate DMSO Control (-):0.094275±0.28020
Plate Z-Factor:-2.0734
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DBLink | Rows returned: 5
73068
243725
4323685
6708575
6998985

internal high similarity DBLink | Rows returned: 6
SPE00201477 0.9286
LOPAC 01192 0.9438
SPE00200013 0.9438
SPE00201153 0.9824
SPE00211231 0.9824
BTB 14028 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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