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Compound InformationSONAR Target prediction
Name:

Dihydrorotenone

Unique Identifier:LAT001C04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H24O6
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

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.3709±0.0260922
Normalized OD Score: sc h 0.5972±0.0510955
Z-Score: -11.3047±2.29756
p-Value: 1.83148e-22
Z-Factor: -3.0405
Fitness Defect: 50.0517
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:1|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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DBLink | Rows returned: 5
73068
243725
4323685
6708575
6998985

internal high similarity DBLink | Rows returned: 2
BTB 14028 1.0000
SPE00201449 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
SPE00201449 0.315068493150685

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