| 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: |
BY4741-3rd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6674±0.0170413 |
| Normalized OD Score: sc h |
0.9756±0.000835222 |
| Z-Score: |
-0.7338±0.0714742 |
| p-Value: |
0.463632 |
| Z-Factor: |
-18.1276 |
| Fitness Defect: |
0.7687 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.30 Celcius | | Date: | 2007-09-25 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00044 | | Plate DMSO Control (-): | 0.6658±0.12138 | | Plate Z-Factor: | 0.3924 |
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ps
pdf |
| 6432313 |
(1R,4aS,7S,8aR)-1,4a-dimethyl-7-propan-2-yl-decalin |
| 6432402 |
1-[(1R,2R)-2-methylcyclopropyl]butane |
| 6432405 |
(1S,8S)-bicyclo[6.1.0]nonane |
| 6432462 |
(5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclope
nta[a]phenanthrene |
| 6432470 |
(1R,2S)-1-ethyl-2-methyl-cyclohexane |
| 6432471 |
(1R,2R)-1-ethyl-2-methyl-cyclohexane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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