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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: 604 nonactive | as graph: single | with analogs [1] << Back 571 572 573 574 575 576 577 578 579 580  Next >> [604]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.8218±0.000565685
Normalized OD Score: sc h 1.0077±0.000551867
Z-Score: 0.3640±0.0209803
p-Value: 0.715862
Z-Factor: -3.72098
Fitness Defect: 0.3343
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-05-05 YYYY-MM-DD
Plate CH Control (+):0.03885±0.00284
Plate DMSO Control (-):0.8113250000000001±0.01802
Plate Z-Factor:0.9204
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DBLink | Rows returned: 1
4620898

internal high similarity DBLink | Rows returned: 0

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