| Compound Information | SONAR Target prediction | | Name: | CHOLEST-5-EN-3-ONE | | Unique Identifier: | SPE01500849 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 340.288 g/mol | | X log p: | 3.186 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | animal fats; mp 79-80 C | | Reference: | J Am Chem Soc 75: 3500 (1953) |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5510±0.0719128 |
| Normalized OD Score: sc h |
0.8012±0.0956012 |
| Z-Score: |
-6.6050±2.88442 |
| p-Value: |
0.00000249232 |
| Z-Factor: |
-0.839418 |
| Fitness Defect: |
12.9023 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.30 Celcius | | Date: | 2006-02-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042575±0.00247 | | Plate DMSO Control (-): | 0.6584749999999999±0.01937 | | Plate Z-Factor: | 0.9430 |
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ps
pdf |
| 7091750 |
(8R,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15
,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7091751 |
(8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15
,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7091752 |
(8R,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15
,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7091753 |
(8R,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15
,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 8000974 |
(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodec
ahydrocyclopenta[a]phenanthren-3-one |
| 12100178 |
n/a |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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