Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

DIHYDRO-OBLIQUIN

Unique Identifier:SPE00100543
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H14O4
Molecular Weight:232.147 g/mol
X log p:9.123  (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
Source:derivative
Reference:J Chem Soc 1966: 114

Found: 90 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [90]
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.1007±0.0178191
Normalized OD Score: sc h 0.1389±0.023543
Z-Score: -38.5068±2.70891
p-Value: 0
Z-Factor: 0.854648
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2005-12-22 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00099
Plate DMSO Control (-):0.6975±0.01279
Plate Z-Factor:0.9468
png
ps
pdf

DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100540 0.9672

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504163 0.435483870967742
SPE01504162 0.375

Service provided by the Mike Tyers Laboratory