| 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: |
ARL3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6749±0.0100409 |
| Normalized OD Score: sc h |
0.9969±0.0019836 |
| Z-Score: |
-0.1481±0.0830549 |
| p-Value: |
0.88243 |
| Z-Factor: |
-45.5011 |
| Fitness Defect: |
0.1251 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2008-06-11 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00065 | | Plate DMSO Control (-): | 0.671975±0.00932 | | Plate Z-Factor: | 0.9688 |
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ps
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| 89275 |
3-methyldotriacontane |
| 89303 |
2,4,5-trimethylheptane |
| 89304 |
3,4,5-trimethylheptane |
| 89671 |
1-cyclohexylnonadecane |
| 90415 |
magnesium(+2) cation; octane |
| 90758 |
3-cyclohexyl-1,1,3-trimethyl-3a,4,5,6,7,7a-hexahydro-2H-indene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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