| Compound Information | SONAR Target prediction | | Name: | CEDROL | | Unique Identifier: | SPE00307059 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 197.168 g/mol | | X log p: | 0.0649999999999999 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)O | | Class: | sesquiterpene | | Source: | Common constitutent in the Family Cupressaceae | | Reference: | J Org Chem 43: 1964 (1978) | | Therapeutics: | acaricide | | 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: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5844±0.00608112 |
| Normalized OD Score: sc h |
0.8958±0.00284294 |
| Z-Score: |
-4.5450±0.0902878 |
| p-Value: |
0.00000573728 |
| Z-Factor: |
0.422235 |
| Fitness Defect: |
12.0685 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.04152499999999999±0.00118 | | Plate DMSO Control (-): | 0.64825±0.01399 | | Plate Z-Factor: | 0.9287 |
|  png
ps
pdf |
| 1550823 |
(1R,5R)-3,3,5-trimethylcyclohexan-1-ol |
| 1550824 |
(1S,5R)-3,3,5-trimethylcyclohexan-1-ol |
| 1551167 |
(3S)-3,7-dimethyloctane-1,7-diol |
| 1572847 |
(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-7-ol |
| 1632157 |
(1S,2S)-2-heptylcyclohexan-1-ol |
| 1714361 |
(1R,2R,12R)-bicyclo[10.1.0]tridecan-2-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
|
