| 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: |
SLT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7777±0.00480833 |
| Normalized OD Score: sc h |
0.9905±0.00230388 |
| Z-Score: |
-0.1694±0.113397 |
| p-Value: |
0.865906 |
| Z-Factor: |
-51.4989 |
| Fitness Defect: |
0.144 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.20 Celcius | | Date: | 2006-03-21 YYYY-MM-DD | | Plate CH Control (+): | 0.0387±0.00780 | | Plate DMSO Control (-): | 0.768925±0.01148 | | Plate Z-Factor: | 0.9395 |
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ps
pdf |
| 164641 |
(5R,8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,
15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 169751 |
(8S,9R,10S,13S,14R)-11-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phen
anthrene |
| 172117 |
2-methylheptane |
| 172416 |
hexadecane |
| 172417 |
octadecane |
| 176691 |
2,2-dimethylnonane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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