| Compound Information | SONAR Target prediction | | Name: | ESTRIOL BENZYL ETHER | | Unique Identifier: | SPE01501191 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C25H30O3 | | Molecular Weight: | 348.266 g/mol | | X log p: | 17.354 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 9.23 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC12CCC3C(CCc4cc(OCc5ccccc5)ccc34)C1CC(O)C2O | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
GAS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.0419±0.000141421 |
| Normalized OD Score: sc h |
0.1141±0.0215315 |
| Z-Score: |
-8.8480±1.13597 |
| p-Value: |
4.32078e-16 |
| Z-Factor: |
0.712985 |
| Fitness Defect: |
35.3779 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 15|B5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2006-01-20 YYYY-MM-DD | | Plate CH Control (+): | 0.044700000000000004±0.00102 | | Plate DMSO Control (-): | 0.361325±0.02199 | | Plate Z-Factor: | 0.7409 |
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ps
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| DBLink | Rows returned: 2 | |
| 3271 |
13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol |
| 5702175 |
(16R,17R)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-d
iol |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3283 | Additional Members: 12 | Rows returned: 7 | 1 2 Next >> |
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