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Compound InformationSONAR Target prediction
Name:

ROBINETIN TRIMETHYL ETHER

Unique Identifier:SPE01500732
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O7
Molecular Weight:328.188 g/mol
X log p:12.149  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:COc1cc(cc(OC)c1OC)C1Oc2cc(O)ccc2C(=O)C=1O
Source:derivative

Found: 101 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [101]
Species: 4932
Condition: HTZ1
Replicates: 2
Raw OD Value: r im 0.2382±0.0385373
Normalized OD Score: sc h 1.1433±0.363641
Z-Score: 0.1432±1.33443
p-Value: 0.350308
Z-Factor: -24.4888
Fitness Defect: 1.0489
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-26 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00083
Plate DMSO Control (-):0.18095±0.07833
Plate Z-Factor:-1.3830
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DBLink | Rows returned: 2
265724 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one
6250403 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 11<< Back 1 2
XBX 00307 0.9419
LOPAC 01176 0.9419
SPE01502247 0.9529
SPE00310031 0.9593
SPE00300538 0.9770

active | Cluster 15563 | Additional Members: 8 | Rows returned: 3
SPE01504130 0.375
SPE01505149 0.288461538461538
SPE01502247 0

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