| 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: |
PPH21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7787±0.0154856 |
| Normalized OD Score: sc h |
0.9156±0.00479964 |
| Z-Score: |
-4.3720±0.152359 |
| p-Value: |
0.0000137665 |
| Z-Factor: |
-0.668998 |
| Fitness Defect: |
11.1933 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Maybridge1000 | | Plate Number and Position: | 8|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.60 Celcius | | Date: | 2006-06-06 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00107 | | Plate DMSO Control (-): | 0.8180499999999999±0.03155 | | Plate Z-Factor: | 0.8911 |
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| 7054871 |
(3S,5R,8R,9R,10R,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15
,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7054872 |
(3S,5R,8R,9R,10S,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15
,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7054873 |
(3R,5R,8R,9R,10R,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15
,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7054874 |
(3R,5R,8R,9R,10S,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15
,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7056389 |
-1 |
| 7056390 |
-1 |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
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