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Compound InformationSONAR Target prediction
Name:

OBLIQUIN

Unique Identifier:SPE00100540
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:9.126  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(=C)C1COc2cc3OC(=O)C=Cc3cc2O1
Class:coumarin
Source:sneezewood or umtati, Ptaeroxylon Obliquum
Reference:J Chem Soc 1966: 114

Found: 146 active | as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [146]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6301±0.00148492
Normalized OD Score: sc h 0.7603±0.00784833
Z-Score: -10.9608±0.657208
p-Value: 4.50312e-26
Z-Factor: 0.765897
Fitness Defect: 58.3624
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00043
Plate DMSO Control (-):0.7051249999999999±0.01675
Plate Z-Factor:0.9196
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DBLink | Rows returned: 2
5018929
6708593

internal high similarity DBLink | Rows returned: 1
SPE00100543 0.9672

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE01504163 0.435483870967742
SPE01504162 0.375

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