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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 191 192 193 194 195 196 197 198 199 200  Next >> [235]
Species: 4932
Condition: SNC1
Replicates: 2
Raw OD Value: r im 0.6551±0.0208596
Normalized OD Score: sc h 0.9235±0.0258439
Z-Score: -4.3652±1.57739
p-Value: 0.000577438
Z-Factor: -0.864685
Fitness Defect: 7.4569
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-04-24 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00053
Plate DMSO Control (-):0.702625±0.01722
Plate Z-Factor:0.9221
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DBLink | Rows returned: 89<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
111273 [(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] propanoate
112100 [(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] hexanoate
114819 [(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-butylcyclohexane-1-carboxylate
122505 (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) octanoate
122506 (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
undec-10-enoate
131201 [(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] 3-hexylcyclobutane-1-carboxylate

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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