| 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: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
10677.0000±0 |
| Normalized OD Score: sc h |
0.8900±0 |
| Z-Score: |
-3.0607±0 |
| p-Value: |
0.0022081 |
| Z-Factor: |
-3.39546 |
| Fitness Defect: |
6.1156 |
| 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 (+): | 22056±7270.79638 | | Plate DMSO Control (-): | 12341.5±7132.64330 | | Plate Z-Factor: | -6.0351 |
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ps
pdf |
| 6973733 |
[(1R,8S,9S,10S,13S,14R,16S,17R)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahyd
rocyclopenta[a]phenanthren-1-yl] acetate |
| 6981574 |
n/a |
| 6994442 |
(3R,8S,9R,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylate |
| 6994443 |
(3R,8S,9R,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylic acid |
| 7002017 |
(4R)-4-[(3S,8R,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 7002018 |
(4R)-4-[(3S,8R,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 4 | |
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