Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FLM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
2 InChIKey InChI 1.03 SLDLVGFPFFLYBM-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Fc1cccc(N)c1C
4 SMILES CACTVS 3.341 Cc1c(N)cccc1F
5 SMILES OpenEye OEToolkits 1.5.0 Cc1c(cccc1F)N
6 Canonical SMILES CACTVS 3.341 Cc1c(N)cccc1F
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(cccc1F)N