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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 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7131±0.0103238
Normalized OD Score: sc h 1.0200±0.00762829
Z-Score: 1.0812±0.398114
p-Value: 0.298422
Z-Factor: -3.60027
Fitness Defect: 1.2092
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00072
Plate DMSO Control (-):0.688175±0.02109
Plate Z-Factor:0.8974
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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

nonactive | Cluster 5819 | Additional Members: 6 | Rows returned: 1
SPE01500852 0.466666666666667

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