Molecule
![Molecular Image]()
Propyl Pentyl final dried data.topspin[1]
Propyl Pentyl final dried data.topspin[2]
Propyl Pentyl final dried data.topspin[3]
Propyl Pentyl final dried data.topspin[4]
(13aS)-12-bromo-9-pentoxy-3-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Chemical Information
| InChI | InChI=1S/C25H32BrNO4/c1-3-5-6-10-31-25-19-15-27-8-7-16-11-24(30-9-4-2)22(28)13-17(16)21(27)12-18(19)20(26)14-23(25)29/h11,13-14,21,28-29H,3-10,12,15H2,1-2H3/t21-/m0/s1 |
|---|---|
| SMILES | CCCCCOC1=C2CN3CCC4=CC(OCCC)=C(O)C=C4[C@@H]3CC2=C(Br)C=C1O |
| InChI Key | MMFWIZULHRZJBU-NRFANRHFSA-N |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol3707 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL5423880 | chembl |
| 172455693 | pubchem |
| 50620537 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |