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Compound InformationSONAR Target prediction
Name:

12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE

Unique Identifier:SPE00202175
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:324.2 g/mol
X log p:13.364  (online calculus)
Lipinksi Failures1
TPSA46.15
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1
Class:rotenoid
Source:derivative

Found: 12 active | as graph: single | with analogs << Back 11 12
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.4902±0.00388909
Normalized OD Score: sc h 0.8480±0.00937845
Z-Score: -6.4868±0.905785
p-Value: 0.00000000251334
Z-Factor: -0.607685
Fitness Defect: 19.8017
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039749999999999994±0.00178
Plate DMSO Control (-):0.57205±0.03761
Plate Z-Factor:0.7665
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DBLink | Rows returned: 1
4620898

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1665 | Additional Members: 1 | Rows returned: 0
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