Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LG5    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3
2 InChIKey InChI 1.03 NJIDBKRVRJXCLL-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 NC=1C=CCN(C=1)C
4 SMILES CACTVS 3.341 CN1CC=CC(=C1)N
5 SMILES OpenEye OEToolkits 1.5.0 CN1CC=CC(=C1)N
6 Canonical SMILES CACTVS 3.341 CN1CC=CC(=C1)N
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CN1CC=CC(=C1)N