| Compound Information | SONAR Target prediction | | Name: | CHOLESTANOL | | Unique Identifier: | SPE00270078 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H48O | | Molecular Weight: | 341.296 g/mol | | X log p: | 1.606 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | | Source: | ex eggs, faces, gall stones, adrenal tissue | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
VPS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6274±0.021496 |
| Normalized OD Score: sc h |
1.0138±0.011035 |
| Z-Score: |
0.5395±0.419472 |
| p-Value: |
0.605602 |
| Z-Factor: |
-7.57264 |
| Fitness Defect: |
0.5015 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|B11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-10-03 YYYY-MM-DD | | Plate CH Control (+): | 0.04015±0.00058 | | Plate DMSO Control (-): | 0.598125±0.12844 | | Plate Z-Factor: | 0.2317 |
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ps
pdf |
| 101819 |
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopen
ta[a]phenanthrene-3,17-diol |
| 101921 |
(1S,5S)-3,3,5-trimethylcyclohexan-1-ol |
| 101956 |
2-ethylhexan-1-olate; titanium(+4) cation |
| 102425 |
decalin-1-ol |
| 102459 |
3,7,11,15-tetramethylhexadecan-1-ol |
| 102493 |
2-propylhexan-1-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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