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Compound InformationSONAR Target prediction
Name:

ISOROTENONE

Unique Identifier:SPE00200015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:374.258 g/mol
X log p:11.448  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1cc2OCC3Oc4c(ccc5oc(cc54)C(C)C)C(=O)C3c2cc1OC
Class:rotenoid
Source:semisynthetic
Reference:Chem Rev 12, 181 (1933); J Chem Soc 1966:749

Found: 205 nonactive as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [205]
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.6643±0.00784888
Normalized OD Score: sc h 0.9852±0.00876023
Z-Score: -0.8079±0.485634
p-Value: 0.445928
Z-Factor: -4.65722
Fitness Defect: 0.8076
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.048425±0.00163
Plate DMSO Control (-):0.661775±0.01558
Plate Z-Factor:0.9213
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DBLink | Rows returned: 2
3503071
6453092

internal high similarity DBLink | Rows returned: 0

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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