| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6518±0.0152735 |
| Normalized OD Score: sc h |
1.0189±0.00393014 |
| Z-Score: |
-0.0880±0.208716 |
| p-Value: |
0.883122 |
| Z-Factor: |
-10.5039 |
| Fitness Defect: |
0.1243 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.20 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.04235±0.00174 | | Plate DMSO Control (-): | 0.6381749999999999±0.01611 | | Plate Z-Factor: | 0.9054 |
|  png
ps
pdf |
| 356 |
octane |
| 1108 |
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene |
| 7044 |
decalin |
| 7094 |
cyclohexylcyclohexane |
| 7459 |
1-methyl-4-propan-2-yl-cyclohexane |
| 7962 |
methylcyclohexane |
| internal high similarity DBLink | Rows returned: 0 | |
|
