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Compound InformationSONAR Target prediction
Name:

DEGUELIN(-)

Unique Identifier:SPE00201138
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:13.465  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1cc2OCC3Oc4c(ccc5OC(C)(C)C=Cc54)C(=O)C3c2cc1OC
Class:rotenoid
Source:Tephrosia & Derris spp
Reference:J Am Chem Soc 56: 2415 (1934); J Org Chem 44: 2580 (1979); Applied Microbiol 18: 660
(1969); Proc Natl Acad Sci 95: 3380 (1998); J Natl Cancer Inst 95: 29
Therapeutics:antineoplastic, antiviral, insecticide

Found: 3 active | as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.3223±0.0118087
Normalized OD Score: sc h 0.6070±0.0157722
Z-Score: -6.2690±0.5374
p-Value: 0.00000000195759
Z-Factor: 0.623376
Fitness Defect: 20.0516
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00078
Plate DMSO Control (-):0.48045000000000004±0.01621
Plate Z-Factor:0.9048
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DBLink | Rows returned: 3
107935
184223
606171

internal high similarity DBLink | Rows returned: 2
SPE00203010 0.9752
SPE00211224 0.9901

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00200851 0.425
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685

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