| 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: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5442±0.00205061 |
| Normalized OD Score: sc h |
1.0060±0.00431406 |
| Z-Score: |
-1.1227±0.246195 |
| p-Value: |
0.268752 |
| Z-Factor: |
-100.894 |
| Fitness Defect: |
1.314 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2007-09-27 YYYY-MM-DD | | Plate CH Control (+): | 0.04050000000000001±0.00032 | | Plate DMSO Control (-): | 0.5521750000000001±0.09784 | | Plate Z-Factor: | 0.4049 |
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ps
pdf |
| 10202 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthrene |
| 10325 |
2,3,3a,4,5,6,7,7a-octahydro-1H-indene |
| 11006 |
hexadecane |
| 11008 |
dotriacontane |
| 11416 |
1,2-dimethylcyclohexane |
| 11512 |
4-methylheptane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
