| Compound Information | SONAR 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 Failures | 0 | | TPSA | 43.37 | | 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 |
| Species: |
4932 |
| Condition: |
SAM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5982±0.00282843 |
| Normalized OD Score: sc h |
0.9187±0.00713621 |
| Z-Score: |
-4.1231±0.430778 |
| p-Value: |
0.0000718918 |
| Z-Factor: |
-455.059 |
| Fitness Defect: |
9.5403 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 11|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2007-09-21 YYYY-MM-DD | | Plate CH Control (+): | 0.039975±0.00064 | | Plate DMSO Control (-): | 0.6449±0.16628 | | Plate Z-Factor: | 0.0933 |
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ps
pdf |
| 252040 |
[(8R,9S,10R,13S,14S,17S)-10,13,14-trimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthren-17-yl] propanoate |
| 282515 |
[(7S,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 |
| 286478 |
(7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
3-cyclopentylpropanoate |
| 441404 |
[(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-cyclopentylpropanoate |
| 546276 |
(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
propanoate |
| 667508 |
[(8R,9S,10R,13S,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 |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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