| Compound Information | SONAR Target prediction | | Name: | ESTRADIOL METHYL ETHER | | Unique Identifier: | SPE01501183 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 260.202 g/mol | | X log p: | 7.007 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 9.23 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | COc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1 | | Source: | semisynthetic | | Reference: | JACS 100: 6218 (1978) | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
FAA2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5945±0.025173 |
| Normalized OD Score: sc h |
0.8599±0.0412981 |
| Z-Score: |
-7.7904±2.84808 |
| p-Value: |
0.00000000381272 |
| Z-Factor: |
-0.292179 |
| Fitness Defect: |
19.3849 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-05-27 YYYY-MM-DD | | Plate CH Control (+): | 0.040275000000000005±0.00065 | | Plate DMSO Control (-): | 0.6768500000000001±0.01405 | | Plate Z-Factor: | 0.9325 |
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ps
pdf |
| 5487203 |
n/a |
| 5490712 |
n/a |
| 6546105 |
(8R,9R,13S,14R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-o
l |
| 6570695 |
(8R,9S,13R,14R,17R)-17-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanth
ren-17-ol |
| 6710631 |
(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol |
| 6955064 |
(8S,9R,13R,14R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-o
l |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 3283 | Additional Members: 12 | Rows returned: 7 | 1 2 Next >> |
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