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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 << Back 1 2
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.3836±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: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00049
Plate DMSO Control (-):0.512175±0.01640
Plate Z-Factor:0.8807
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DBLink | Rows returned: 130[1] << Back 21 22 Next >> [22]
11943876 (3S,5S,8S,9S,10S,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one
11943877 (3R,5S,8S,9S,10R,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one
11943878 (3R,5S,8S,9S,10S,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one
11975150 (5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,
14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
15341086 (3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethy
l-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
15920952 6-hydroxyoctan-3-one

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

active | Cluster 17506 | Additional Members: 20 | Rows returned: 3
SPE00270090 0.529411764705882
SPE01500849 0.354430379746835
SPE00270043 0.315068493150685

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