| 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: |
BCK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7222±0.0194454 |
| Normalized OD Score: sc h |
1.0058±0.00715805 |
| Z-Score: |
0.2288±0.272866 |
| p-Value: |
0.822282 |
| Z-Factor: |
-54.4235 |
| Fitness Defect: |
0.1957 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2006-03-29 YYYY-MM-DD | | Plate CH Control (+): | 0.03815±0.00123 | | Plate DMSO Control (-): | 0.689775±0.03008 | | Plate Z-Factor: | 0.8406 |
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ps
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| 6451376 |
(1S,4aS,4bS,7S,8aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenant
hrene |
| 6537508 |
(1R,3R)-1,3-diethylcyclopentane |
| 6537628 |
aluminum(+3) cation; octadecane |
| 6554356 |
(3S,4R,5R)-2,3,4,5-tetramethylheptane |
| 6579401 |
(1S,2S,4S)-2-cyclohexyl-1,7,7-trimethyl-norbornane |
| 6728950 |
(5R,10S,13R)-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 |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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