Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KWD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
2 InChIKey InChI 1.03 UVZNRMKUEHJMJX-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl
5 Canonical SMILES CACTVS 3.385 Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl