Compound Information | SONAR Target prediction | Name: | ESTRONE HEMISUCCINATE | Unique Identifier: | SPE01503676 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C22H26O5 | Molecular Weight: | 344.232 g/mol | X log p: | 5.334 (online calculus) | Lipinksi Failures | 1 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC12CCC3C(CCc4cc(OC(=O)CCC(O)=O)ccc34)C1CCC2=O | Therapeutics: | estrogen |
Species: |
4932 |
Condition: |
ARF1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6225±0.0127279 |
Normalized OD Score: sc h |
0.9159±0.00931876 |
Z-Score: |
-4.0765±0.464863 |
p-Value: |
0.0000944774 |
Z-Factor: |
-21.344 |
Fitness Defect: |
9.2671 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 22|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2007-10-02 YYYY-MM-DD | Plate CH Control (+): | 0.041175±0.00062 | Plate DMSO Control (-): | 0.6629750000000001±0.22109 | Plate Z-Factor: | -0.2493 |
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3274 |
4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxo-butanoic acid |
5702254 |
4-[[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-bu tanoic acid |
6553596 |
4-[[(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy ]-4-oxo-butanoic acid |
6978338 |
4-[[(8R,9R,13R,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy ]-4-oxo-butanoate |
6978339 |
4-[[(8R,9R,13R,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy ]-4-oxo-butanoic acid |
7067988 |
4-[[(8R,9S,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy ]-4-oxo-butanoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 13348 | Additional Members: 15 | Rows returned: 2 | |
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