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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 << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 17259.0000±0
Normalized OD Score: sc h 0.9400±0
Z-Score: -1.6697±0
p-Value: 0.0949842
Z-Factor: -10.5647
Fitness Defect: 2.354
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 (+):18603±2417.22394
Plate DMSO Control (-):18347.5±2353.75180
Plate Z-Factor:-21.3877
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DBLink | Rows returned: 89<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
131219 [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] 4-pentylcyclohexane-1-carboxylate
155143 [(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] decanoate
164765 [(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] hexadecanoate
167988 [(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] 2,2-dimethylpropanoate
171321 [(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] heptanoate;
[(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] propanoate
173328 [(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] 4-methylpentanoate;
[(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] propanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 2094 | Additional Members: 20 | Rows returned: 71 2 Next >> 
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE00300029 0.285714285714286
SPE01500508 0
LAT002C06 0
LAT005F10 0

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