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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 431 432 433 434 435 436 437 438 439 440  Next >> [604]
Species: 4932
Condition: HHF1
Replicates: 2
Raw OD Value: r im 0.6039±0.0114551
Normalized OD Score: sc h 1.0032±0.000557431
Z-Score: 0.1419±0.0256359
p-Value: 0.887156
Z-Factor: -24.575
Fitness Defect: 0.1197
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-04-15 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00258
Plate DMSO Control (-):0.63385±0.02716
Plate Z-Factor:0.8611
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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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