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Compound InformationSONAR Target prediction
Name:

Scopoletin

Unique Identifier:Prest1125
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H8O4
Molecular Weight:184.105 g/mol
X log p:8.75  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:COc1cc2C=CC(=O)Oc2cc1O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 955.0000±0
Normalized OD Score: sc h 1.0403±0
Z-Score: 0.9096±0
p-Value: 0.363052
Z-Factor: -98.1291
Fitness Defect: 1.0132
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|A3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):727.5±605.08760
Plate DMSO Control (-):773±261.27974
Plate Z-Factor:-83.4256
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DBLink | Rows returned: 1
5280460 7-hydroxy-6-methoxy-chromen-2-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14605 | Additional Members: 7 | Rows returned: 3
SPE01504168 0.573770491803279
SPE00100101 0.491228070175439
SPE01502242 0

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