Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C28H38BrNO4/c1-3-5-7-9-12-33-27-14-19-10-11-30-18-22-21(15-24(30)20(19)16-25(27)31)23(29)17-26(32)28(22)34-13-8-6-4-2/h14,16-17,24,31-32H,3-13,15,18H2,1-2H3/t24-/m0/s1
SMILES CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCCCC)C(O)=CC(Br)=C3C[C@@H]21
InChI Key SMQYAHMIUKDWPQ-DEOSSOPVSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol2321
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5423775 chembl
    172460127 pubchem
    50620549 bindingdb
    The data in this table is sourced from UniChem at EBI.