| Compound Information | SONAR Target prediction | | Name: | (+,-)-Octopamine hydrochloride | | Unique Identifier: | Prest1148 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C8ClH12NO2 | | 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 |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
6782.5000±0 |
| Normalized OD Score: sc h |
1.0641±0 |
| Z-Score: |
1.4448±0 |
| p-Value: |
0.148522 |
| Z-Factor: |
-17.6333 |
| Fitness Defect: |
1.907 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 12|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 758.5±653.58671 | | Plate DMSO Control (-): | 822.5±277.54018 | | Plate Z-Factor: | -66.6597 |
|  png
ps
pdf |
| 6918910 |
[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium |
| 6950152 |
[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 15753 | Additional Members: 7 | Rows returned: 2 | |
|
