| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6521±0.0053033 |
| Normalized OD Score: sc h |
0.9969±0.00492128 |
| Z-Score: |
-0.1708±0.272962 |
| p-Value: |
0.849138 |
| Z-Factor: |
-13.4099 |
| Fitness Defect: |
0.1635 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|B11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.0417±0.00147 | | Plate DMSO Control (-): | 0.642325±0.00873 | | Plate Z-Factor: | 0.9398 |
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ps
pdf |
| 585744 |
n/a |
| 586834 |
cyclopentane; 1-cyclopentylpentan-1-ol; iron |
| 586835 |
1-cyclopentylpentan-1-ol |
| 586949 |
10,13-dimethyl-17-[1-(4-methylcyclohexyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycl
openta[a]phenanthrene-3,16-diol |
| 587217 |
1,1,4a,7,7-pentamethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-9-ol |
| 588252 |
11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahyd
ropicen-3-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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