| 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: |
NPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.9622±0.00756604 |
| Normalized OD Score: sc h |
0.9365±0.0121494 |
| Z-Score: |
-0.6063±0.0718651 |
| p-Value: |
0.544864 |
| Z-Factor: |
-1.52094 |
| Fitness Defect: |
0.6072 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 24|G4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2012-09-18 YYYY-MM-DD | | Plate CH Control (+): | 0.003325±0.00169 | | Plate DMSO Control (-): | 0.99575±0.04459 | | Plate Z-Factor: | 0.8525 |
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ps
pdf |
| 11754 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthre
n-3-one |
| 86843 |
13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione |
| 150901 |
(8S,9S,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-3-one |
| 160531 |
(8R,9S,10R,13S,14S)-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-
dione |
| 166358 |
3,3,5,5-tetramethyl-4,4a,6,7-tetrahydro-1H-naphthalen-2-one |
| 173107 |
n/a |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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