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

Compound InformationSONAR Target prediction
Name:

FRAXIDIN METHYL ETHER

Unique Identifier:SPE00100572
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:224.125 g/mol
X log p:7.438  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:COc1cc2C=CC(=O)Oc2c(OC)c1OC
Class:coumarin
Source:derivative

Found: 192 nonactive as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [192]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.6722±0.000141421
Normalized OD Score: sc h 1.0034±0.00490727
Z-Score: 0.5977±0.259055
p-Value: 0.556688
Z-Factor: -6.60847
Fitness Defect: 0.5858
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2008-02-06 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00064
Plate DMSO Control (-):0.6561±0.01717
Plate Z-Factor:0.9131
png
ps
pdf

DBLink | Rows returned: 2
3083928 6,7,8-trimethoxychromen-2-one
5518297 5-hydroxy-7,8-dimethoxy-chromen-2-one

internal high similarity DBLink | Rows returned: 3
SPE01502242 0.9118
SPE01504069 0.9412
NRB 03190 0.9510

nonactive | Cluster 2974 | Additional Members: 2 | Rows returned: 1
SPE01504069 0.4375

Service provided by the Mike Tyers Laboratory