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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 181 182 183 184 185 186 187 188 189 190  Next >> [235]
Species: 4932
Condition: PFK2
Replicates: 2
Raw OD Value: r im 0.3508±0.00749533
Normalized OD Score: sc h 0.7850±0.0372366
Z-Score: -6.8986±1.12795
p-Value: 0.000000000526884
Z-Factor: -0.194013
Fitness Defect: 21.364
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-05-10 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00087
Plate DMSO Control (-):0.4508±0.02235
Plate Z-Factor:0.8132
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DBLink | Rows returned: 89<< Back 11 12 13 14 15 Next >> 
6432562 [(17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]
propanoate
6432566 [(17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]
3-cyclopentylpropanoate
6444142 [(3S,5S,9R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-
dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
6453209 [(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] hexadecanoate
6540839 [(8R,9R,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] propanoate
6560289 [(8S,9S,10S,13R,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] decanoate

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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