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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 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7291±0.00282843
Normalized OD Score: sc h 1.0155±0.00587074
Z-Score: 0.8363±0.34149
p-Value: 0.41654
Z-Factor: -7.59254
Fitness Defect: 0.8758
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00070
Plate DMSO Control (-):0.7075750000000001±0.13088
Plate Z-Factor:0.3396
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DBLink | Rows returned: 1
3953335

internal high similarity DBLink | Rows returned: 0

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

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