Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C26H34BrNO4/c1-3-5-6-7-11-32-26-20-16-28-9-8-17-12-25(31-10-4-2)23(29)14-18(17)22(28)13-19(20)21(27)15-24(26)30/h12,14-15,22,29-30H,3-11,13,16H2,1-2H3/t22-/m0/s1
SMILES CCCCCCOC1=C2CN3CCC4=CC(OCCC)=C(O)C=C4[C@@H]3CC2=C(Br)C=C1O
InChI Key POVWSYSDQXIYKJ-QFIPXVFZSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol1978
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5398357 chembl
    172442094 pubchem
    50620538 bindingdb
    The data in this table is sourced from UniChem at EBI.