| Compound Information | SONAR Target prediction | | Name: | METHYL DEOXYCHOLATE | | Unique Identifier: | SPE00270051 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 364.265 g/mol | | X log p: | -0.0670000000000001 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C | | Class: | sterol | | Source: | rabbit bile & feces | | Reference: | Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963) | | Generic_name: | METHYL NONANOATE (ESTER) | | Chemical_iupac_name: | METHYL NONANOATE (ESTER) | | Drug_type: | Experimental | | Drugbank_id: | EXPT02376 | | Drug_category: | Neutrophil Gelatinase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2808±0.00657609 |
| Normalized OD Score: sc h |
0.7756±0.0108201 |
| Z-Score: |
-6.2797±0.311051 |
| p-Value: |
0.000000000722014 |
| Z-Factor: |
0.5756 |
| Fitness Defect: |
21.049 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2006-02-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041675000000000004±0.00148 | | Plate DMSO Control (-): | 0.33655±0.02061 | | Plate Z-Factor: | 0.7745 |
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| 566170 |
methyl 4-(3-oxocyclohexyl)butanoate |
| 566362 |
methyl 3-(2-methyl-3-oxo-cyclopentyl)propanoate |
| 566619 |
methyl 5-(2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-decalin-1-yl)-3-methyl-pentanoate |
| 566668 |
dimethyl icosanedioate |
| 566678 |
1,7,15-trimethyl pentadecane-1,7,15-tricarboxylate |
| 566758 |
dimethyl nonadecanedioate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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