| 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: |
SER1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5851±0.0101823 |
| Normalized OD Score: sc h |
1.0102±0.0314536 |
| Z-Score: |
0.3088±0.982313 |
| p-Value: |
0.507658 |
| Z-Factor: |
-14.4962 |
| Fitness Defect: |
0.6779 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.10 Celcius | | Date: | 2007-09-17 YYYY-MM-DD | | Plate CH Control (+): | 0.039525000000000005±0.00046 | | Plate DMSO Control (-): | 0.5672250000000001±0.10392 | | Plate Z-Factor: | 0.3813 |
|  png
ps
pdf |
| 6427534 |
(1S,3R)-1,3-dimethylcyclooctane |
| 6427535 |
(1R,2R)-1,2-dimethylcyclooctane |
| 6427536 |
(1R,3R)-1,3-dimethylcycloheptane |
| 6427537 |
(1S,3S)-1,3-dimethylcyclooctane |
| 6427538 |
(1S,4S)-1,4-dimethylcycloheptane |
| 6427540 |
n/a |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
|
