Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : H8H

Encoding of molecule in descriptor string

Name

SMILES

Program

OpenEye OEToolkits

Version

1.7.6

Name

CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl