Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C24H30BrNO4/c1-3-5-9-30-24-18-14-26-7-6-15-10-23(29-8-4-2)21(27)12-16(15)20(26)11-17(18)19(25)13-22(24)28/h10,12-13,20,27-28H,3-9,11,14H2,1-2H3/t20-/m0/s1
SMILES CCCCOC1=C2CN3CCC4=CC(OCCC)=C(O)C=C4[C@@H]3CC2=C(Br)C=C1O
InChI Key ANDDNJUYPNMKJQ-FQEVSTJZSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol6967
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5416700 chembl
    172452344 pubchem
    50620536 bindingdb
    The data in this table is sourced from UniChem at EBI.