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Compound InformationSONAR Target prediction
Name:

RETUSIN 7-METHYL ETHER

Unique Identifier:SPE00240645
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:284.179 g/mol
X log p:15.443  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1=COc2c(O)c(OC)ccc2C1=O
Class:isoflavone
Source:derivative Dalbergia spp

Found: 76 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [76]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.6746±0.00551543
Normalized OD Score: sc h 0.8699±0.00707901
Z-Score: -5.5417±0.989403
p-Value: 0.000000642596
Z-Factor: 0.396416
Fitness Defect: 14.2577
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.03795±0.00148
Plate DMSO Control (-):0.74745±0.01380
Plate Z-Factor:0.9397
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DBLink | Rows returned: 1
6710639 8-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 14<< Back 1 2 3 Next >> 
SPE10100004 0.9154
SPE01500726 0.9154
BTB 12549 0.9219
SPE00102007 0.9219
SPE00200139 0.9275
SPE00201187 0.9297

active | Cluster 5360 | Additional Members: 5 | Rows returned: 3
SPE00200139 0.440677966101695
SPE00201185 0.307692307692308
SPE00201312 0

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