Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : 13V

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.7.6

Name

CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O