| Compound Information | SONAR Target prediction |
| Name: | THERMOPSINE PERCHLORATE |
| Unique Identifier: | SPE01504023 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 323.624 g/mol |
| X log p: | 6.07 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 23.55 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | OCl(=O)(=O)=O.O=C1C=CC=C2C3CC(CN12)C1CCCCN1C3 |
| Class: | alkaloid |
| Source: | Anabasis aphylla, Thermopsis spp |
| Reference: | Ber 66:625 (1933); Can J Chem 29:13 29, 22 (1951) |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6851±0.00205061 |
| Normalized OD Score: sc h | 0.9819±0.00747889 |
| Z-Score: | -0.9808±0.391511 |
| p-Value: | 0.344974 |
| Z-Factor: | -7.28043 |
| Fitness Defect: | 1.0643 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01504027 | 0.9440 |
| active | Cluster 15968 | Additional Members: 6 | Rows returned: 0 |
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