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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: 71 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [71]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.3564±0.00671751
Normalized OD Score: sc h 0.9027±0.00929379
Z-Score: -2.2549±0.546316
p-Value: 0.0349668
Z-Factor: -0.817249
Fitness Defect: 3.3534
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.20 Celcius
Date:2005-12-15 YYYY-MM-DD
Plate CH Control (+):0.037750000000000006±0.00182
Plate DMSO Control (-):0.7519±0.01566
Plate Z-Factor:0.8917
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DBLink | Rows returned: 2
5018929
6708593

internal high similarity DBLink | Rows returned: 1
SPE00100543 0.9672

active | Cluster 302 | Additional Members: 10 | Rows returned: 3
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286

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