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Compound InformationSONAR Target prediction
Name:

Testosterone propionate

Unique Identifier:Prest432
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H32O3
Molecular Weight:315.257 g/mol
X log p:2.188  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1994.0000±0
Normalized OD Score: sc h 0.9394±0
Z-Score: -1.3661±0
p-Value: 0.171898
Z-Factor: -33.3104
Fitness Defect: 1.7609
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|A2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 89<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
65157 [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] undecanoate
85694 (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
cyclohexanecarboxylate
85823 (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
4-methylpentanoate
86744 (13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
cyclohexanecarboxylate
92149 [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] 2-methylpropanoate
94193 [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-17-yl] undecanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 2094 | Additional Members: 20 | Rows returned: 72 Next >> 
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE00300029 0.285714285714286
SPE01500508 0
LAT002C06 0
LAT005F10 0

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