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 31 32 33 34 35 36 37 38 39 40  Next >> [90]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.6380±0.00509117
Normalized OD Score: sc h 0.8898±0.000798394
Z-Score: -5.9310±0.226282
p-Value: 0.00000000450056
Z-Factor: 0.385901
Fitness Defect: 19.2191
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00195
Plate DMSO Control (-):0.7017±0.01513
Plate Z-Factor:0.9254
png
ps
pdf

DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100540 0.9672

active | Cluster 302 | Additional Members: 10 | Rows returned: 3
LAT001E05 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

Service provided by the Mike Tyers Laboratory