| Compound Information | SONAR Target prediction | | Name: | Dehydroisoandosterone 3-acetate | | Unique Identifier: | Prest1157 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H30O3 | | Molecular Weight: | 303.247 g/mol | | X log p: | 1.624 (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)C3CCC4(C)C(CCC4=O)C3CC=C2C1 |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
843.0000±0 |
| Normalized OD Score: sc h |
0.8808±0 |
| Z-Score: |
-2.6869±0 |
| p-Value: |
0.00721282 |
| Z-Factor: |
-6.84897 |
| Fitness Defect: |
4.9319 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 12|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 758.5±653.58671 | | Plate DMSO Control (-): | 822.5±277.54018 | | Plate Z-Factor: | -66.6597 |
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ps
pdf |
| 538685 |
(17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl
) acetate |
| 539914 |
[6-(3-acetyloxy-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-1
7-yl)-2-methyl-heptyl] acetate |
| 540877 |
(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
| 541065 |
n/a |
| 541141 |
4-(3-acetyloxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent
anoic acid |
| 543974 |
methyl
6-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-y
l)-2-methyl-heptanoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 4 | |
|
