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Compound InformationSONAR Target prediction
Name:

DIHYDROMUNDULONE

Unique Identifier:SPE00210201
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
Source:derivative

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7743±0.00176777
Normalized OD Score: sc h 1.0101±0.0073406
Z-Score: 0.4979±0.361377
p-Value: 0.629826
Z-Factor: -5.16558
Fitness Defect: 0.4623
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2006-03-21 YYYY-MM-DD
Plate CH Control (+):0.038849999999999996±0.00114
Plate DMSO Control (-):0.7513±0.00935
Plate Z-Factor:0.9644
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DBLink | Rows returned: 1
3953335

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2161 | Additional Members: 6 | Rows returned: 5
LAT001G03 0.572916666666667
SPE01700330 0.55
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

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