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Compound InformationSONAR Target prediction
Name:

Dihydromundulone

Unique Identifier:LAT001G03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H30O6
Molecular Weight:408.275 g/mol
X log p:8.622  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1c2CCC(C)(C)Oc2ccc1C1COc2cc3OC(C)(C)C(O)Cc3cc2C1=O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.8218±0.0270115
Normalized OD Score: sc h 1.0424±0.0375308
Z-Score: 1.1749±0.879365
p-Value: 0.326278
Z-Factor: -2.83607
Fitness Defect: 1.12
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00170
Plate DMSO Control (-):0.805925±0.01622
Plate Z-Factor:0.9334
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DBLink | Rows returned: 1
3953335

internal high similarity DBLink | Rows returned: 1
SPE00210201 1.0000

active | Cluster 2161 | Additional Members: 6 | Rows returned: 3
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

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