| 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: |
DOA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6631±0.00763675 |
| Normalized OD Score: sc h |
1.0480±0.00773342 |
| Z-Score: |
1.9119±0.364212 |
| p-Value: |
0.0640488 |
| Z-Factor: |
-1.14141 |
| Fitness Defect: |
2.7481 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.040525±0.00040 | | Plate DMSO Control (-): | 0.6138250000000001±0.01402 | | Plate Z-Factor: | 0.9258 |
|  png
ps
pdf |
| 236407 |
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene |
| 236409 |
3-cyclopentylpropylcyclohexane |
| 237522 |
2-butyldecalin |
| 238540 |
2,2,4,9,11,11-hexamethyldodecane |
| 243269 |
6-pentylundecane |
| 244023 |
1-cyclohexyl-1-methyl-cyclohexane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
