| Compound Information | SONAR Target prediction | | Name: | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one | | Unique Identifier: | LOPAC 01126 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H34O3 | | Molecular Weight: | 301.231 g/mol | | X log p: | -0.154 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12 | | Class: | GABA | | Action: | Modulator | | Selectivity: | GABA-A |
| Species: |
4932 |
| Condition: |
MRC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8475±0.0487904 |
| Normalized OD Score: sc h |
1.0145±0.0255069 |
| Z-Score: |
0.9747±1.76276 |
| p-Value: |
0.406088 |
| Z-Factor: |
-6.58096 |
| Fitness Defect: |
0.9012 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 12|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2005-12-06 YYYY-MM-DD | | Plate CH Control (+): | 0.33182500000000004±0.13802 | | Plate DMSO Control (-): | 0.8097749999999999±0.01236 | | Plate Z-Factor: | 0.9373 |
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| 11775817 |
1-[(1R,3aS,4R,7aS)-4-hydroxy-1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-yl]ethanone |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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