Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : JCZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)
2 InChIKey InChI 1.03 WGNBSWSUVHVDSW-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N
5 Canonical SMILES CACTVS 3.385 Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N