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Compound InformationSONAR Target prediction
Name:

5alpha-CHOLESTAN-3beta-OL-6-ONE

Unique Identifier:SPE00270083
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:357.296 g/mol
X log p:0.465  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:Mandevilla pentlandiana

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.2945±0.0142836
Normalized OD Score: sc h 0.7598±0.010239
Z-Score: -6.7194±0.295333
p-Value: 0.0000000000395524
Z-Factor: 0.48277
Fitness Defect: 23.9534
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00082
Plate DMSO Control (-):0.312075±0.03162
Plate Z-Factor:0.6029
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
3012236 n/a
3012242 n/a
3012483 n/a
3607371 n/a
3875236 1-(2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl)propan-2-one
4075202 8-hydroxy-4a,8-dimethyl-decalin-2-one

internal high similarity DBLink | Rows returned: 3
JFD 02336 1.0000
SPE00100652 1.0000
SPE00300110 1.0000

nonactive | Cluster 17506 | Additional Members: 20 | Rows returned: 91 2 Next >> 
SPE00270090 0.529411764705882
SPE01500854 0.416666666666667
SPE01500849 0.354430379746835
SPE01504051 0.345679012345679
SPE00270043 0.315068493150685
Prest11 0.226666666666667

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