| 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: |
BNI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6873±0.00311127 |
| Normalized OD Score: sc h |
0.9932±0.000541437 |
| Z-Score: |
-0.3341±0.0372517 |
| p-Value: |
0.73841 |
| Z-Factor: |
-19.6565 |
| Fitness Defect: |
0.3033 |
| 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: | 2007-09-14 YYYY-MM-DD | | Plate CH Control (+): | 0.042325±0.00084 | | Plate DMSO Control (-): | 0.6793750000000001±0.12060 | | Plate Z-Factor: | 0.4086 |
|  png
ps
pdf |
| 10202 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthrene |
| 10325 |
2,3,3a,4,5,6,7,7a-octahydro-1H-indene |
| 11006 |
hexadecane |
| 11008 |
dotriacontane |
| 11416 |
1,2-dimethylcyclohexane |
| 11512 |
4-methylheptane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
