| 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: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5696±0.0130108 |
| Normalized OD Score: sc h |
0.9845±0.0211867 |
| Z-Score: |
-0.7651±1.04263 |
| p-Value: |
0.55537 |
| Z-Factor: |
-6.29556 |
| Fitness Defect: |
0.5881 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040925±0.00060 | | Plate DMSO Control (-): | 0.56915±0.01239 | | Plate Z-Factor: | 0.9294 |
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ps
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| 586536 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
-3,6-dione |
| 596010 |
17-ethyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| 601844 |
3-acetyl-2,4,4-trimethyl-cyclohex-2-en-1-one |
| 627140 |
10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione |
| 634921 |
4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanth
rene-7,11-dione |
| 642490 |
2,6,6-trimethyl-3-oxo-cyclohexene-1-carbaldehyde |
| 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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