| 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: |
GIM3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7958±0.0362746 |
| Normalized OD Score: sc h |
0.9622±0.0224267 |
| Z-Score: |
-1.1671±0.624297 |
| p-Value: |
0.287888 |
| Z-Factor: |
-4.09185 |
| Fitness Defect: |
1.2452 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2006-03-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038375±0.00199 | | Plate DMSO Control (-): | 0.8187249999999999±0.01903 | | Plate Z-Factor: | 0.8802 |
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| 3036394 |
neodymium; propan-2-ylcyclopentane |
| 3036395 |
praseodymium; propan-2-ylcyclopentane |
| 3036417 |
cyclooctane; 1,2,3,4,5-pentamethylcyclopentane; zirconium |
| 3036418 |
cyclooctane; 1,2,3,4,5-pentamethylcyclopentane; titanium |
| 3036917 |
(5S,8R,9R,10S,13R,14S,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15
,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| 3083568 |
n/a |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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