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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 1 2 3 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.4819±0.0161927
Normalized OD Score: sc h 0.8475±0.0151469
Z-Score: -6.4155±0.707538
p-Value: 0.0000000016596
Z-Factor: 0.271492
Fitness Defect: 20.2167
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-08-22 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00068
Plate DMSO Control (-):0.5604±0.01228
Plate Z-Factor:0.9081
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DBLink | Rows returned: 3
107935
184223
606171

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

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444

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