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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: 144 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [144]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5553±0.000919239
Normalized OD Score: sc h 0.8886±0.00630598
Z-Score: -2.9802±0.349438
p-Value: 0.00376224
Z-Factor: 0.267211
Fitness Defect: 5.5827
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-23 YYYY-MM-DD
Plate CH Control (+):0.039150000000000004±0.00153
Plate DMSO Control (-):0.6022000000000001±0.01154
Plate Z-Factor:0.9262
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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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