Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GF8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)
2 InChIKey InChI 1.03 ZRTLNSGWIWNTPL-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
4 SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CC(=O)NCCS)Cl)Cl
5 Canonical SMILES CACTVS 3.385 SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CC(=O)NCCS)Cl)Cl