| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4657±0.00940452 |
| Normalized OD Score: sc h |
0.9982±0.00196403 |
| Z-Score: |
0.9455±0.145181 |
| p-Value: |
0.346946 |
| Z-Factor: |
-4.12051 |
| Fitness Defect: |
1.0586 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-02-05 YYYY-MM-DD | | Plate CH Control (+): | 0.0408±0.00062 | | Plate DMSO Control (-): | 0.46225000000000005±0.01590 | | Plate Z-Factor: | 0.8837 |
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ps
pdf |
| 1333 |
(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium |
| 10570 |
(3S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthr
en-17-one |
| 28539 |
4-hydroxy-4-methyl-cyclohexan-1-one |
| 36653 |
4-hydroxydecalin-1-one |
| 64184 |
5-hydroxyadamantan-2-one |
| 65529 |
(3R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro
cyclopenta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
|
