| 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: |
PPH21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7973±0.0066468 |
| Normalized OD Score: sc h |
0.9853±0.00277754 |
| Z-Score: |
-0.5300±0.106884 |
| p-Value: |
0.597186 |
| Z-Factor: |
-6.04131 |
| Fitness Defect: |
0.5155 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.038974999999999996±0.00208 | | Plate DMSO Control (-): | 0.791175±0.01646 | | Plate Z-Factor: | 0.9286 |
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ps
pdf |
| 5260241 |
n/a |
| 5260466 |
5-methanidyl-3,4,6,7,8-pentamethyl-decane |
| 5260557 |
8aH-naphthalene; chromium |
| 5260558 |
8aH-naphthalene |
| 5283630 |
(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| 5318100 |
1,1,4,8-tetramethylcycloundecane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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