| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8040±0.00551543 |
| Normalized OD Score: sc h |
1.0035±0.00874508 |
| Z-Score: |
0.2047±0.4765 |
| p-Value: |
0.741432 |
| Z-Factor: |
-14.9774 |
| Fitness Defect: |
0.2992 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 25|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09825±0.00733 | | Plate DMSO Control (-): | 0.95575±0.01636 | | Plate Z-Factor: | 0.9111 |
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ps
pdf |
| 11519 |
3-methylheptane |
| 11523 |
1,4-dimethylcyclohexane |
| 11549 |
1,1-dimethylcyclohexane |
| 11564 |
1,3-dimethylcyclohexane |
| 11594 |
2-methylheptane |
| 11635 |
octadecane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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