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Compound InformationSONAR Target prediction
Name:

GENKWANIN

Unique Identifier:SPE01500724
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:15.05  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)c2C(=O)C=C(Oc2c1)c1ccc(O)cc1
Source:widespread in plants

Found: 100 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [100]
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.7463±0.0141421
Normalized OD Score: sc h 1.0002±0.00392584
Z-Score: 0.0110±0.267996
p-Value: 0.849708
Z-Factor: -132.816
Fitness Defect: 0.1629
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.40 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.040375±0.00123
Plate DMSO Control (-):0.72755±0.04370
Plate Z-Factor:0.8451
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DBLink | Rows returned: 2
5281601 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
5281617 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one

internal high similarity DBLink | Rows returned: 221 2 3 4 Next >> 
SPE01600652 0.9060
BTB 14496 0.9079
SPE01504002 0.9178
SPE01400010 0.9184
BTB 14494 0.9225
BTB 14489 0.9286

active | Cluster 1884 | Additional Members: 20 | Rows returned: 5
SPE01504115 0.294117647058823
SPE00200499 0.24
SPE01505144 0.191489361702128
SPE01500709 0.191489361702128
Prest122 0.1875

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