Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : IBI

Encoding of molecule in descriptor string

Name

SMILES

Program

CACTVS

Version

3.341

Name

CC[CH]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[CH]4CC[CH](CC4)N5CCN(CC5)CC6CC6)ncc2N(C)C1=O