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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: PEX11
Replicates: 2
Raw OD Value: r im 0.5988±0.0175362
Normalized OD Score: sc h 0.8359±0.0207299
Z-Score: -9.5472±0.391116
p-Value: 9.2918e-21
Z-Factor: -2.82274
Fitness Defect: 46.1252
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2007-10-23 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00123
Plate DMSO Control (-):0.7044250000000001±0.10604
Plate Z-Factor:0.5005
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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

nonactive | Cluster 5360 | Additional Members: 5 | Rows returned: 4
SPE00200139 0.440677966101695
SPE00201341 0.388888888888889
SPE00201185 0.307692307692308
SPE00201312 0

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