| Compound Information | SONAR Target prediction | | Name: | ANDROSTERONE ACETATE | | Unique Identifier: | SPE00107113 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 301.231 g/mol | | X log p: | -0.0390000000000001 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1 | | Source: | semisynthetic | | Therapeutics: | androgen |
| Species: |
4932 |
| Condition: |
MCK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5112±0.0212839 |
| Normalized OD Score: sc h |
0.8479±0.0400073 |
| Z-Score: |
-6.5406±2.20991 |
| p-Value: |
0.000000321284 |
| Z-Factor: |
-2.86974 |
| Fitness Defect: |
14.9509 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2007-11-13 YYYY-MM-DD | | Plate CH Control (+): | 0.039724999999999996±0.00061 | | Plate DMSO Control (-): | 0.587375±0.07184 | | Plate Z-Factor: | 0.5847 |
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| 7057232 |
(3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057233 |
(3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoic acid |
| 7057234 |
(3S)-5-[(1R,2R,4aS,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057239 |
methyl (3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057240 |
methyl (3S)-5-[(1R,2R,4aS,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7091818 |
[(5S,8S,9R,10S,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
