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Compound InformationSONAR Target prediction
Name:

9-HYDROXYPTEROCARPIN

Unique Identifier:SPE01401019
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H14O6
Molecular Weight:300.178 g/mol
X log p:10.51  (online calculus)
Lipinksi Failures1
TPSA46.15
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:COc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O
Source:ex Derris spruceana; mp 213-215

Found: 100 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100 Next >> [100]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.2911±0.0286378
Normalized OD Score: sc h 0.7834±0.0245194
Z-Score: -1.8780±0.0953399
p-Value: 0.0609638
Z-Factor: -0.418912
Fitness Defect: 2.7975
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00207
Plate DMSO Control (-):0.39549999999999996±0.02754
Plate Z-Factor:0.7526
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00201654 0.9691

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE00100743 0.567164179104478
SPE00201654 0

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