Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : JK2

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F