| 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: |
pdr_yCG196 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7495±0.00777817 |
| Normalized OD Score: sc h |
1.0017±0.0265362 |
| Z-Score: |
0.0535±0.887076 |
| p-Value: |
0.531078 |
| Z-Factor: |
-37.9702 |
| Fitness Defect: |
0.6328 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 25|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09425±0.01067 | | Plate DMSO Control (-): | 0.93475±0.01453 | | Plate Z-Factor: | 0.9367 |
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ps
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| 13379 |
2-methylnonane |
| 13534 |
3,4-dimethylheptane |
| 13558 |
3,5-dimethylheptane |
| 13598 |
(1R,2R)-1-ethyl-2-methyl-cyclopentane |
| 13845 |
3-methylundecane |
| 13885 |
2,3-dimethyldecalin |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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