Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CLU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
2 InChIKey InChI 1.03 GJSURZIOUXUGAL-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc2c(\N=C1/NCCN1)c(Cl)ccc2
4 SMILES CACTVS 3.341 Clc1cccc(Cl)c1N=C2NCCN2
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
6 Canonical SMILES CACTVS 3.341 Clc1cccc(Cl)c1N=C2NCCN2
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)Cl)N=C2NCCN2)Cl