| Compound Information | SONAR Target prediction | | Name: | CHOLESTANE | | Unique Identifier: | SPE00300015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 325.297 g/mol | | X log p: | 2.314 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 0 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C | | Source: | semisynthetic | | Generic_name: | ADAMANTANE | | Chemical_iupac_name: | ADAMANTANE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00433 | | Logp: | 2.69 | | Drug_category: | Cytochrome P450Cam inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CLB2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6648±0.0116673 |
| Normalized OD Score: sc h |
0.9995±0.00890635 |
| Z-Score: |
-0.0254±0.512775 |
| p-Value: |
0.717 |
| Z-Factor: |
-17.7363 |
| Fitness Defect: |
0.3327 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2007-11-02 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00018 | | Plate DMSO Control (-): | 0.657875±0.11745 | | Plate Z-Factor: | 0.4089 |
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| 3461228 |
cyclooctane; erbium; 1,2,3,4,5-pentamethylcyclopentane |
| 3662892 |
dodecane; magnesium(+2) cation; bromide |
| 3702843 |
hexapentacontane |
| 3770255 |
1-cyclohexyladamantane |
| 3846457 |
n/a |
| 3896724 |
2,3,4,5-tetramethylheptane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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