| 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: |
SAM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6568±0.0212839 |
| Normalized OD Score: sc h |
0.9780±0.00490329 |
| Z-Score: |
-1.1173±0.267175 |
| p-Value: |
0.272338 |
| Z-Factor: |
-29.0491 |
| Fitness Defect: |
1.3007 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.10 Celcius | | Date: | 2007-09-21 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00049 | | Plate DMSO Control (-): | 0.665875±0.11999 | | Plate Z-Factor: | 0.3941 |
|  png
ps
pdf |
| 6430392 |
13,23-dimethylhexatriacontane |
| 6430393 |
13,23-dimethylnonatriacontane |
| 6430394 |
(13S,23S)-13,23-dimethylpentatriacontane |
| 6430395 |
(13S,25S)-13,25-dimethylheptatriacontane |
| 6430396 |
13-methyldotriacontane |
| 6430397 |
14,18-dimethylhexatriacontane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
