| 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: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7146±0.00183848 |
| Normalized OD Score: sc h |
0.9966±0.00636196 |
| Z-Score: |
-0.1825±0.342139 |
| p-Value: |
0.81193 |
| Z-Factor: |
-40.8022 |
| Fitness Defect: |
0.2083 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00088 | | Plate DMSO Control (-): | 0.716475±0.01206 | | Plate Z-Factor: | 0.9368 |
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ps
pdf |
| 6330874 |
(8S,13S,17S)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren
e; sodium |
| 6398673 |
(13S,17R)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene |
| 6453286 |
sodium
(13S,17R)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-olate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3283 | Additional Members: 12 | Rows returned: 8 | 1 2 Next >> |
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