| 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: |
SSB2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7080±0.00459619 |
| Normalized OD Score: sc h |
1.0204±0.00296454 |
| Z-Score: |
1.1196±0.163381 |
| p-Value: |
0.266076 |
| Z-Factor: |
-3.16324 |
| Fitness Defect: |
1.324 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-05-29 YYYY-MM-DD | | Plate CH Control (+): | 0.040725±0.00079 | | Plate DMSO Control (-): | 0.673325±0.01479 | | Plate Z-Factor: | 0.9206 |
|  png
ps
pdf |
| 3085224 |
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane |
| 3085240 |
1-[(1R)-2,2-dimethylcyclobutyl]octane |
| 3091318 |
1-[4-(1-adamantyl)butyl]adamantane |
| 3255572 |
7,7-dicyclohexylnorcarane |
| 3363162 |
(10S)-2,10,23-trimethyltetracosane |
| 3365121 |
1,2,3,4,5-pentamethylcyclopentane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
