| Compound Information | SONAR Target prediction | | Name: | Cortexolone | | Unique Identifier: | LOPAC 01179 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H30O4 | | Molecular Weight: | 319.246 g/mol | | X log p: | 0.635 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO | | Class: | Hormone | | Action: | Precursor | | Selectivity: | Cortisol |
| Species: |
4932 |
| Condition: |
HOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5763±0.0226981 |
| Normalized OD Score: sc h |
1.0039±0.0102895 |
| Z-Score: |
0.1603±0.457967 |
| p-Value: |
0.749198 |
| Z-Factor: |
-18.218 |
| Fitness Defect: |
0.2888 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|H11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2005-11-24 YYYY-MM-DD | | Plate CH Control (+): | 0.0392±0.00116 | | Plate DMSO Control (-): | 0.565825±0.01696 | | Plate Z-Factor: | 0.8686 |
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ps
pdf |
| 6540824 |
(8R,9R,10R,13R,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 6603981 |
(8R,9S,10S,13R,14R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 6918959 |
(8S,9S,10S,13S,14R,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 6931415 |
(8S,9R,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 6978285 |
(8S,9R,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 7058020 |
(8R,9R,10R,13S,14R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 15 | 1 2 3 Next >> |
| active | Cluster 13537 | Additional Members: 14 | Rows returned: 4 | |
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