Molecule

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

Chemical Information

Molecular Image
InChI InChI=1S/C27H36BrNO4/c1-3-5-7-8-12-32-26-13-18-9-10-29-17-21-20(14-23(29)19(18)15-24(26)30)22(28)16-25(31)27(21)33-11-6-4-2/h13,15-16,23,30-31H,3-12,14,17H2,1-2H3/t23-/m0/s1
SMILES CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCCC)C(O)=CC(Br)=C3C[C@@H]21
InChI Key SJWXAQHBAPRXPD-QHCPKHFHSA-N

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol1041
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL5412881 chembl
    172451642 pubchem
    50620548 bindingdb
    The data in this table is sourced from UniChem at EBI.