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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 2 3 4 5 6 7 8 9 10  Next >> [100]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6800±0.00678822
Normalized OD Score: sc h 0.9834±0.00501851
Z-Score: -0.9019±0.259037
p-Value: 0.375074
Z-Factor: -26.1439
Fitness Defect: 0.9806
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042124999999999996±0.00077
Plate DMSO Control (-):0.6782250000000001±0.12100
Plate Z-Factor:0.4058
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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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