| Compound Information | SONAR Target prediction | | Name: | 6-OXOPROGESTERONE | | Unique Identifier: | SPE01505219 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H28O3 | | Molecular Weight: | 300.223 g/mol | | X log p: | 1.122 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 51.21 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC21C |
| Species: |
4932 |
| Condition: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7825±0.0013435 |
| Normalized OD Score: sc h |
0.9669±0.00157474 |
| Z-Score: |
-1.1930±0.013423 |
| p-Value: |
0.232902 |
| Z-Factor: |
-1.01597 |
| Fitness Defect: |
1.4571 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03795±0.00185 | | Plate DMSO Control (-): | 0.7793749999999999±0.01544 | | Plate Z-Factor: | 0.9193 |
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ps
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| 4036085 |
17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| 4146610 |
4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione |
| 5316741 |
(8S,10R,13R)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro
-1H-cyclopenta[a]phenanthrene-3,6-dione |
| 5363650 |
(E)-6,6-dimethyl-9-methylidene-undec-3-ene-2,5,10-trione |
| 5490007 |
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| 6541170 |
(8S,9R,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthrene-3,6-dione |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 7 | 1 2 Next >> |
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