| Compound Information | SONAR Target prediction | | Name: | 5alpha-CHOLESTAN-3beta-OL-6-ONE | | Unique Identifier: | SPE00270083 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 357.296 g/mol | | X log p: | 0.465 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Mandevilla pentlandiana |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7126±0.00127279 |
| Normalized OD Score: sc h |
1.0105±0.00552849 |
| Z-Score: |
0.5692±0.29176 |
| p-Value: |
0.577384 |
| Z-Factor: |
-7.87398 |
| Fitness Defect: |
0.5492 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.70 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00052 | | Plate DMSO Control (-): | 0.687425±0.02326 | | Plate Z-Factor: | 0.8902 |
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ps
pdf |
| 247934 |
(5R,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cycl
openta[a]phenanthren-11-one |
| 281941 |
6-(hydroxymethyl)norbornan-2-one |
| 301398 |
3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclop
enta[a]phenanthren-6-one |
| 351782 |
17-acetyl-16-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a
]phenanthren-3-one |
| 380802 |
(8aS)-5-hydroxydecalin-1-one |
| 382537 |
n/a |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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