Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UZ3    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)
2 InChIKey InChI 1.06 LGINOCHKOLUZAO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
4 SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
5 Canonical SMILES CACTVS 3.385 COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N