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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 111 112 113 114 115 116 117 118 119 120  Next >> [146]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.5490±0.0240416
Normalized OD Score: sc h 0.7935±0.037312
Z-Score: -10.3586±1.53621
p-Value: 9.10406e-21
Z-Factor: -1.12564
Fitness Defect: 46.1456
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2008-01-15 YYYY-MM-DD
Plate CH Control (+):0.04345±0.00076
Plate DMSO Control (-):0.681875±0.05472
Plate Z-Factor:0.5329
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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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