| 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: |
CDC73 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3154±0.0274357 |
| Normalized OD Score: sc h |
0.7526±0.0410733 |
| Z-Score: |
-6.2137±0.708427 |
| p-Value: |
0.00000000556804 |
| Z-Factor: |
-2.95672 |
| Fitness Defect: |
19.0062 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2007-09-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040249999999999994±0.00037 | | Plate DMSO Control (-): | 0.40585±0.07978 | | Plate Z-Factor: | 0.2653 |
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ps
pdf |
| 578422 |
5,5,9-trimethylspiro[3.5]non-8-en-3-one |
| 579270 |
1-(1-ethyl-2,3-dimethyl-1-cyclopent-2-enyl)ethanone |
| 579874 |
4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| 580323 |
4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phena
nthren-3-one |
| 600219 |
n/a |
| 600416 |
n/a |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
|
