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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: NBP2
Replicates: 2
Raw OD Value: r im 0.6466±0.0398101
Normalized OD Score: sc h 0.8079±0.0358433
Z-Score: -4.7274±0.0971629
p-Value: 0.00000239946
Z-Factor: -0.204177
Fitness Defect: 12.9403
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.038425±0.00492
Plate DMSO Control (-):0.7415499999999999±0.03328
Plate Z-Factor:0.8266
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DBLink | Rows returned: 89<< Back 11 12 13 14 15 Next >> 
4554800 (7,10,13-trimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
propanoate
5315133 [(6bS,11R)-4,4,6a,6b,8a,11,12,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropi
cen-3-yl] octacosanoate
5701990 [(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17
-yl] propanoate
5748262 [(8R,9R,10S,13S,14R,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
6427041 (13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
dodecanoate
6432323 [(17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-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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