| 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: |
SKT5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5738±0.014425 |
| Normalized OD Score: sc h |
0.8656±0.020156 |
| Z-Score: |
-6.6792±0.967105 |
| p-Value: |
0.00000000101512 |
| Z-Factor: |
-0.105516 |
| Fitness Defect: |
20.7083 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 7|H2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-06-17 YYYY-MM-DD | | Plate CH Control (+): | 0.04055±0.00063 | | Plate DMSO Control (-): | 0.672525±0.01911 | | Plate Z-Factor: | 0.9124 |
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ps
pdf |
| 22746 |
[(7R)-7,10,13-trimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]
propanoate |
| 26717 |
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)methyl
propanoate |
| 27692 |
(10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
propanoate |
| 51517 |
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]
phenanthren-3-one;
[(8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe
nanthren-17-yl] propanoate |
| 51518 |
[(8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe
nanthren-17-yl] propanoate |
| 64247 |
[(7R,8R,9R,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta
[a]phenanthren-17-yl] adamantane-1-carboxylate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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