Molecule
![Molecular Image]()
Propyl Propyl final dried data.topspin[1]
Propyl Propyl final dried data.topspin[2]
Propyl Propyl final dried data.topspin[3]
Propyl Propyl final dried data.topspin[4]
(13aS)-12-bromo-3,9-dipropoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Chemical Information
| InChI | InChI=1S/C23H28BrNO4/c1-3-7-28-22-9-14-5-6-25-13-17-16(10-19(25)15(14)11-20(22)26)18(24)12-21(27)23(17)29-8-4-2/h9,11-12,19,26-27H,3-8,10,13H2,1-2H3/t19-/m0/s1 |
|---|---|
| SMILES | CCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCC)C(O)=CC(Br)=C3C[C@@H]21 |
| InChI Key | YRIGEEYYMGNBLH-IBGZPJMESA-N |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9057 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL5402269 | chembl |
| 172439708 | pubchem |
| 50620535 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |