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Compound InformationSONAR Target prediction
Name:

TESTOSTERONE PROPIONATE

Unique Identifier:SPE00300034
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:312.234 g/mol
X log p:1.957  (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
Source:semisynthetic
Therapeutics:androgen, antineoplastic

Found: 235 active | as graph: single | with analogs [1] << Back 211 212 213 214 215 216 217 218 219 220  Next >> [235]
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.4094±0.0113137
Normalized OD Score: sc h 0.6787±0.0252558
Z-Score: -13.6360±0.00451156
p-Value: 2.44667e-42
Z-Factor: -2.2211
Fitness Defect: 95.8138
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00210
Plate DMSO Control (-):0.587575±0.14567
Plate Z-Factor:0.1306
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DBLink | Rows returned: 89<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
227674 [(5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-17-yl] propanoate
231084 [(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
234905 [(1S,4aS,4bS,10aR,10bS,12aS)-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydro-1H-chryse
n-1-yl] propanoate
237252 [(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] 3-cyclopentylpropanoate
237808 [(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[
a]phenanthren-17-yl] propanoate
248271 [(5S,8S,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[
a]phenanthren-17-yl] heptanoate

internal high similarity DBLink | Rows returned: 5
SPE00310003 0.9194
SPE00100580 0.9242
SPE00307045 0.9242
NRB 03698 0.9385
NRB 03689 1.0000

active | Cluster 2094 | Additional Members: 20 | Rows returned: 6
SPE00307023 0.348484848484849
SPE00300029 0.285714285714286
SPE01500508 0
LAT002C06 0
LAT005F10 0
LOPAC 01120 0

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