Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C29H40BrNO4/c1-3-5-7-9-13-34-28-15-20-11-12-31-19-23-22(16-25(31)21(20)17-26(28)32)24(30)18-27(33)29(23)35-14-10-8-6-4-2/h15,17-18,25,32-33H,3-14,16,19H2,1-2H3/t25-/m0/s1
SMILES CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCCCCC)C(O)=CC(Br)=C3C[C@@H]21
InChI Key PVXJKZIZVPZHDE-VWLOTQADSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol5236
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5439661 chembl
    172471370 pubchem
    50620550 bindingdb
    The data in this table is sourced from UniChem at EBI.