| Compound Information | SONAR Target prediction |
| Name: | OCTOPAMINE HYDROCHLORIDE |
| Unique Identifier: | SPE01500639 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 177.544 g/mol |
| X log p: | 7.337 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Cl.NCC(O)c1ccc(O)cc1 |
| Class: | alkaloid |
| Source: | salivary glands of Octopus vulgaris; also Capsicum frutescens & Cyperus spp; ND-50 |
| Therapeutics: | adrenergic agonist |
| Found: 203 nonactive | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [203] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7045±0.028355 |
| Normalized OD Score: sc h | 0.9934±0.0158961 |
| Z-Score: | -0.3408±0.83642 |
| p-Value: | 0.576654 |
| Z-Factor: | -20.6031 |
| Fitness Defect: | 0.5505 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 4581 | 4-(2-amino-1-hydroxy-ethyl)phenol |
| 20592 | [2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium chloride |
| 102484 | 4-(2-amino-1-hydroxy-ethyl)phenol hydrochloride |
| 440266 | 4-[(1R)-2-amino-1-hydroxy-ethyl]phenol |
| 448337 | 4-[(1S)-2-amino-1-hydroxy-ethyl]phenol |
| 657354 | 4-(2-amino-1-hydroxy-ethyl)phenol; hydrogen(+1) cation; chloride |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00135 | 1.0000 |
| active | Cluster 15753 | Additional Members: 7 | Rows returned: 1 |
| SPE01500436 | 0 |
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