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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: BNI4
Replicates: 2
Raw OD Value: r im 0.6281±0.0216375
Normalized OD Score: sc h 0.9997±0.0386572
Z-Score: -0.0569±1.20057
p-Value: 0.396684
Z-Factor: -104.719
Fitness Defect: 0.9246
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00070
Plate DMSO Control (-):0.640825±0.01531
Plate Z-Factor:0.9537
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DBLink | Rows returned: 1448[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [242]
70490 2-propan-2-ylcyclohexan-1-one
70748 1-cyclohexylpropan-1-one
70767 1-cyclohexyl-2-methyl-propan-1-one
70771 2-butylcyclohexan-1-one
70962 (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one
71552 heptadecanal

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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