Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C26H34BrNO4/c1-3-5-6-7-11-31-25-12-17-8-9-28-16-20-19(13-22(28)18(17)14-23(25)29)21(27)15-24(30)26(20)32-10-4-2/h12,14-15,22,29-30H,3-11,13,16H2,1-2H3/t22-/m0/s1
SMILES CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCC)C(O)=CC(Br)=C3C[C@@H]21
InChI Key VOWZUTQGRBJLDH-QFIPXVFZSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol8255
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5399393 chembl
    172443372 pubchem
    50620547 bindingdb
    The data in this table is sourced from UniChem at EBI.