| Compound Information | SONAR Target prediction | | Name: | ESTRADIOL-3-SULFATE, SODIUM SALT | | Unique Identifier: | SPE01501192 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 351.245 g/mol | | X log p: | 4.808 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 74.81 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | [Na+].[O-]S(=O)(=O)Oc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1 | | Source: | semisynthetic | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
DOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5240±0.00933381 |
| Normalized OD Score: sc h |
1.0076±0.00889476 |
| Z-Score: |
0.2771±0.317184 |
| p-Value: |
0.78701 |
| Z-Factor: |
-24.6211 |
| Fitness Defect: |
0.2395 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2008-05-09 YYYY-MM-DD | | Plate CH Control (+): | 0.041075±0.00065 | | Plate DMSO Control (-): | 0.5197±0.02609 | | Plate Z-Factor: | 0.8324 |
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ps
pdf |
| 1654 |
17-hydroxy-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene |
| 1655 |
17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene |
| 21098 |
sodium
(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]
phenanthrene |
| 66416 |
(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phen
anthrene |
| 5387930 |
(8S,13S,17S)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren
e |
| 5702176 |
sodium
(13S,17R)-17-hydroxy-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthre
ne |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3283 | Additional Members: 12 | Rows returned: 8 | 1 2 Next >> |
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