| 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: |
CDC73 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4192±0.0350725 |
| Normalized OD Score: sc h |
0.9520±0.0028808 |
| Z-Score: |
-1.2083±0.00915218 |
| p-Value: |
0.226952 |
| Z-Factor: |
-224.095 |
| Fitness Defect: |
1.483 |
| 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: | 2007-09-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040425±0.00048 | | Plate DMSO Control (-): | 0.435125±0.07803 | | Plate Z-Factor: | 0.3611 |
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ps
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| 605508 |
ethane; iron; 1,2,3,4,5-pentamethylcyclopentane; propane |
| 605576 |
1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene |
| 605578 |
1,1,4a,7,8a-pentamethyl-8-(3-methylbutyl)-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene |
| 606091 |
carbanide; ethane; nickel; 1,2,3,4,5-pentamethylcyclopentane |
| 606123 |
nickel; 1,2,3,4,5-pentamethylcyclopentane; propane |
| 606130 |
ethane; nickel; 1,2,3,4-tetramethyl-5-pentyl-cyclopentane |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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