| Compound Information | SONAR Target prediction | | Name: | DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE | | Unique Identifier: | SPE00100652 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 300.223 g/mol | | X log p: | -0.683 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C | | Class: | sterol | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7021±0.0147078 |
| Normalized OD Score: sc h |
1.0133±0.0257004 |
| Z-Score: |
0.7133±1.38545 |
| p-Value: |
0.440224 |
| Z-Factor: |
-13.3601 |
| Fitness Defect: |
0.8205 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.60 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042025±0.00108 | | Plate DMSO Control (-): | 0.679925±0.04700 | | Plate Z-Factor: | 0.6990 |
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ps
pdf |
| 6566106 |
(3S,5R,8R,9S,10S,13S,14R,17S)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,1
6,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 6595834 |
n/a |
| 6708589 |
1-[(3R,12S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]ethanone |
| 6710665 |
(3S,5S,10R,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetr
adecahydrocyclopenta[a]phenanthren-6-one |
| 6918983 |
(1S,3S)-5-hydroxyadamantan-2-one |
| 6932888 |
(1R,3R)-5-hydroxyadamantan-2-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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