Molecule

(13aS)-12-bromo-9-ethoxy-3-hexoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol

Chemical Information

Molecular Image
InChI InChI=1S/C25H32BrNO4/c1-3-5-6-7-10-31-24-11-16-8-9-27-15-19-18(12-21(27)17(16)13-22(24)28)20(26)14-23(29)25(19)30-4-2/h11,13-14,21,28-29H,3-10,12,15H2,1-2H3/t21-/m0/s1
SMILES CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCC)C(O)=CC(Br)=C3C[C@@H]21
InChI Key GFZVUTOOLYYAOX-NRFANRHFSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol8689
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5436253 chembl
    172464771 pubchem
    50620546 bindingdb
    The data in this table is sourced from UniChem at EBI.