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Compound InformationSONAR Target prediction
Name:

OSAJIN

Unique Identifier:SPE00201595
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.264 g/mol
X log p:16.764  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCc1c(O)c2C(=O)C(=COc2c2C=CC(C)(C)Oc12)c1ccc(O)cc1
Class:isoflavone
Source:Maclura pomifera
Reference:J Am Chem Soc 63: 1253 (1941); 68: 406 (1946)

Found: 96 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [96]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6220±0.0356382
Normalized OD Score: sc h 0.7725±0.045149
Z-Score: -12.3825±2.24915
p-Value: 1.87628e-27
Z-Factor: 0.224637
Fitness Defect: 61.5405
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-01-31 YYYY-MM-DD
Plate CH Control (+):0.038725±0.00070
Plate DMSO Control (-):0.799625±0.01038
Plate Z-Factor:0.9528
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DBLink | Rows returned: 3
95168
228559
634141

internal high similarity DBLink | Rows returned: 1
SPE00201580 0.9526

nonactive | Cluster 7497 | Additional Members: 7 | Rows returned: 6
SPE00201355 0.59493670886076
SPE00211566 0.557894736842105
SPE00201584 0.527472527472527
SPE00300348 0.476190476190476
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556

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