Compound Information | SONAR Target prediction | Name: | Estropipate | Unique Identifier: | Prest1104 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C22H32N2O5S | Molecular Weight: | 407.336 g/mol | X log p: | 4.253 (online calculus) | Lipinksi Failures | 0 | TPSA | 68.82 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O.C1CNCCN1 |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
1886.0000±0 |
Normalized OD Score: sc h |
0.9406±0 |
Z-Score: |
-1.3379±0 |
p-Value: |
0.180927 |
Z-Factor: |
-23.4224 |
Fitness Defect: |
1.7097 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 9|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 24.30 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 934.5±887.42587 | Plate DMSO Control (-): | 1947.5±635.64730 | Plate Z-Factor: | -4.7271 |
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DBLink | Rows returned: 3 | |
23703 |
(9S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene; piperazine |
441402 |
(8S,9S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene; piperazine |
5284555 |
(8S,9S,13S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene; piperazine |
internal high similarity DBLink | Rows returned: 0 | |
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