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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 11 12 13 14 15 16 17 18 19 20  Next >> [101]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8002±0.000848528
Normalized OD Score: sc h 1.0134±0.00153491
Z-Score: 0.7536±0.0992025
p-Value: 0.452192
Z-Factor: -1.81398
Fitness Defect: 0.7936
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.039075±0.00123
Plate DMSO Control (-):0.769425±0.01148
Plate Z-Factor:0.9426
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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

active | Cluster 3220 | Additional Members: 18 | Rows returned: 101 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00201138 0.4375
SPE00200851 0.425
LAT001C04 0.315068493150685

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