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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 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: RVS167
Replicates: 2
Raw OD Value: r im 0.7520±0.00961665
Normalized OD Score: sc h 1.0289±0.0218122
Z-Score: 1.5883±1.15558
p-Value: 0.228378
Z-Factor: -6.54608
Fitness Defect: 1.4768
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-11-14 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00038
Plate DMSO Control (-):0.72635±0.12360
Plate Z-Factor:0.4311
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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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