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Compound InformationSONAR Target prediction
Name:

CHOLESTAN-3-ONE

Unique Identifier:SPE00270088
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H46O
Molecular Weight:341.296 g/mol
X log p:1.754  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Source:ex minor mammalian sterol
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

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: BNI1
Replicates: 2
Raw OD Value: r im 0.7003±0.0033234
Normalized OD Score: sc h 1.0129±0.0129284
Z-Score: 0.6468±0.658726
p-Value: 0.561142
Z-Factor: -8.74354
Fitness Defect: 0.5778
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-09-14 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00058
Plate DMSO Control (-):0.686825±0.04965
Plate Z-Factor:0.7546
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
7199 2-propylcyclohexan-1-one
7392 4-tert-butylcyclohexan-1-one
8051 heptan-2-one
8093 octan-2-one
8130 heptanal
8163 undecan-2-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 5819 | Additional Members: 6 | Rows returned: 0
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