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Compound InformationSONAR Target prediction
Name:

DIHYDRO-alpha-TOXICAROL METHYL ETHER

Unique Identifier:SPE00211231
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H26O7
Molecular Weight:400.253 g/mol
X log p:8.098  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:COc1cc2OCC3Oc4c5CCC(C)(C)Oc5cc(OC)c4C(=O)C3c2cc1OC
Reference:J Chem Soc 1939: 812

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.7625±0.00615183
Normalized OD Score: sc h 1.0418±0.00696821
Z-Score: 1.2894±0.113375
p-Value: 0.198689
Z-Factor: -3.1709
Fitness Defect: 1.616
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00053
Plate DMSO Control (-):0.7083249999999999±0.02623
Plate Z-Factor:0.8853
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DBLink | Rows returned: 2
4667269
6710701

internal high similarity DBLink | Rows returned: 6
SPE00201477 0.9231
LOPAC 01192 0.9278
SPE00200013 0.9278
BTB 14028 0.9824
SPE00201449 0.9824
SPE00201153 1.0000

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444
SPE00201138 0.4375

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