| Compound Information | SONAR Target prediction | | Name: | 3-ethylenedioxy-17-beta-hydroxyandrostane | | Unique Identifier: | NRB 03720 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H34O3 | | Molecular Weight: | 301.231 g/mol | | X log p: | 0.253 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 18.46 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(CCC4CC5(CCC43C)OCCO5)C1CCC2O |
| Species: |
4932 |
| Condition: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8373±0.0142128 |
| Normalized OD Score: sc h |
1.0845±0.0136354 |
| Z-Score: |
5.9086±0.865307 |
| p-Value: |
0.0000000589936 |
| Z-Factor: |
-0.661957 |
| Fitness Defect: |
16.6458 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Maybridge1000 | | Plate Number and Position: | 8|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.60 Celcius | | Date: | 2007-06-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0433±0.00282 | | Plate DMSO Control (-): | 0.75345±0.02091 | | Plate Z-Factor: | 0.9144 |
|  png
ps
pdf |
| 78067 |
2-heptyl-1,3-dioxolane |
| 79486 |
2-octyl-1,3-dioxolane |
| 80588 |
2-decyl-1,3-dioxolane |
| 85878 |
n/a |
| 102527 |
7,7,9-trimethyl-1,4-dioxaspiro[4.5]decane |
| 107271 |
2-heptan-3-yl-1,3-dioxolane |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
|
