Características Generales
| NatID | 1785 |
| Nombre Común | NatID_1785 |
| Fórmula Molecular | C15H6Br5N3O |
| Tipo Químico | Pyrrolopyrazines |
| Peso Molecular | 638.643 g/mol |
| Otros nombres | 1610046-65-5 |
Representaciones
| Smiles | O=c1[nH]cc(-c2c(Br)[nH]c3ccc(Br)cc23)n2c(Br)c(Br)c(Br)c12 |
| Inchi | InChI=1S/C15H6Br5N3O/c16-5-1-2-7-6(3-5)9(13(19)22-7)8-4-21-15(24)12-10(17)11(18)14(20)23(8)12/h1-4,22H,(H,21,24) |
| Inchi Key | XCBXFVUVZQYRSR-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 6.59 |
| TPSA | 53.06 |
| HBD | 2 |
| HBA | 2 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 4 |
| Átomos pesados | 24 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 3 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10510 | Aspidostoma giganteum | No | Low | Patiño C, L. P., Muniain, C., Knott, M. E., Puricelli, L., & Palermo, J. A. (2014). Bromopyrrole Alkaloids Isolated from the Patagonian Bryozoan Aspidostoma giganteum. Journal of Natural Products, 77(5), 1170–1178. https://doi.org/10.1021/np500012y |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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