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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 21 22 23 24 25 26 27 28 29 30  Next >> [76]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.6148±0.0368403
Normalized OD Score: sc h 0.7860±0.0488598
Z-Score: -5.7609±1.115
p-Value: 0.000000330478
Z-Factor: -0.0973591
Fitness Defect: 14.9227
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.0383±0.00160
Plate DMSO Control (-):0.7797000000000001±0.02064
Plate Z-Factor:0.8941
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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: 141 2 3 Next >> 
SPE00201182 0.9044
RJC 00206 0.9063
SPE10100003 0.9077
LOPAC 00426 0.9141
SPE00200789 0.9141
SPE00201341 0.9143

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

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