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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 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6699±0.00148492
Normalized OD Score: sc h 1.0781±0.0140491
Z-Score: 2.3333±0.224236
p-Value: 0.021179
Z-Factor: -4.26548
Fitness Defect: 3.8547
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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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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