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Compound InformationSONAR Target prediction
Name:

SCANDENIN DIACETATE

Unique Identifier:SPE00211566
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H30O8
Molecular Weight:488.316 g/mol
X log p:14.907  (online calculus)
Lipinksi Failures1
TPSA97.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:8
Canonical Smiles:COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c2OC(=O)C(=C(OC(C)=O)c12)c1ccc(OC(C)=O)c
c1
Source:ex Derris scandens
Reference:Tet Letters 1964: 1209, 2817

Found: 101 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.6493±0.0142836
Normalized OD Score: sc h 1.1502±0.0203432
Z-Score: 2.4156±0.20852
p-Value: 0.0168459
Z-Factor: 0.106657
Fitness Defect: 4.0836
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00117
Plate DMSO Control (-):0.61475±0.01562
Plate Z-Factor:0.8810
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DBLink | Rows returned: 1
4238966

internal high similarity DBLink | Rows returned: 0

active | Cluster 7497 | Additional Members: 7 | Rows returned: 5
SPE00201584 0.527472527472527
SPE00300348 0.476190476190476
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556
SPE00201595 0

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