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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: 128 nonactive | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [128]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.6771±0.00254558
Normalized OD Score: sc h 1.0036±0.00515315
Z-Score: 0.1642±0.249218
p-Value: 0.861972
Z-Factor: -35.5322
Fitness Defect: 0.1485
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00047
Plate DMSO Control (-):0.6516500000000001±0.02577
Plate Z-Factor:0.8659
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DBLink | Rows returned: 3
95168
228559
634141

internal high similarity DBLink | Rows returned: 1
SPE00201580 0.9526

active | Cluster 7497 | Additional Members: 7 | Rows returned: 4
SPE00201584 0.527472527472527
SPE00300348 0.476190476190476
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556

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