| 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: |
GSY2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6956±0.00636396 |
| Normalized OD Score: sc h |
1.0237±0.0078587 |
| Z-Score: |
1.1078±0.358585 |
| p-Value: |
0.283162 |
| Z-Factor: |
-3.25899 |
| Fitness Defect: |
1.2617 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.00 Celcius | | Date: | 2008-04-30 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00043 | | Plate DMSO Control (-): | 0.6641999999999999±0.01741 | | Plate Z-Factor: | 0.9439 |
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| 6427441 |
(2S,4aR,8aS)-2-methyldecalin |
| 6427448 |
(1R,4aR,8aR)-1-methyldecalin |
| 6427449 |
(1S,4aR,8aR)-1-methyldecalin |
| 6427450 |
(2R,4aS,8aS)-2-methyldecalin |
| 6427451 |
(2S,4aS,8aS)-2-methyldecalin |
| 6427533 |
(1S,2R)-1,2-dimethylcyclooctane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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