Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DYX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C24H24ClN3O4S/c1-32-19-10-8-18(9-11-19)28-22(20-14-33(30,31)15-21(20)27-28)26-23(29)24(12-2-3-13-24)16-4-6-17(25)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,26,29)
2 InChIKey InChI 1.03 DDCUCVXSGYHWRJ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)C4(CCCC4)c5ccc(Cl)cc5
4 SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl
5 Canonical SMILES CACTVS 3.385 COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)C4(CCCC4)c5ccc(Cl)cc5
6 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl