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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: 1 active | as graph: single | with analogs
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5217±0.0106773
Normalized OD Score: sc h 0.9041±0.00247106
Z-Score: -4.0859±0.4247
p-Value: 0.0000824314
Z-Factor: -9.35955
Fitness Defect: 9.4035
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00040
Plate DMSO Control (-):0.5710500000000001±0.10856
Plate Z-Factor:0.3479
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00201654 0.9691

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

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