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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 71 72 73 74 75 76 Next >> [76]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.3436±0.00282843
Normalized OD Score: sc h 0.7306±0.0263107
Z-Score: -8.3130±0.771843
p-Value: 0.00000000000000401196
Z-Factor: 0.209608
Fitness Defect: 33.1495
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.0405±0.00114
Plate DMSO Control (-):0.46135000000000004±0.02062
Plate Z-Factor:0.8447
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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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